#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ouu n HIS 447 N 0.00 0.43 -3.55 0.66 -0.00 -1.26 -4.94 115.22 106.56 2ouu n HIS 447 Ca 0.00 -0.22 -0.31 0.00 -0.00 0.00 0.00 57.72 57.20 2ouu n HIS 447 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2ouu n HIS 447 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2ouu s MET 448 N -1.57 3.67 0.35 -1.40 1.00 -1.26 -5.08 119.30 115.01 2ouu s MET 448 Ca 0.37 0.02 -0.25 0.00 0.00 0.00 0.00 55.69 55.83 2ouu s MET 448 Cb 0.22 -2.76 -0.10 0.00 0.00 0.00 0.00 34.83 32.20 2ouu s MET 448 CO 0.31 0.38 0.97 -1.12 0.00 0.00 0.00 175.02 175.56 2ouu s SER 449 N -2.55 7.17 0.05 3.03 0.01 -1.26 -5.05 113.70 115.10 2ouu s SER 449 Ca 0.43 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.66 2ouu s SER 449 Cb -0.12 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2ouu s SER 449 CO 0.24 -0.19 -0.24 -0.51 0.41 0.00 0.00 173.24 172.95 2ouu s ILE 450 N -1.68 2.32 0.85 1.44 2.07 -1.26 -4.79 121.20 120.16 2ouu s ILE 450 Ca 0.53 -1.39 -0.11 0.00 -1.41 0.00 0.00 60.65 58.27 2ouu s ILE 450 Cb -0.19 -1.94 0.11 0.00 0.13 0.00 0.00 42.46 40.57 2ouu s ILE 450 CO 0.24 0.32 1.10 0.00 -1.91 0.00 0.00 174.94 174.69 2ouu s THR 452 N -2.85 4.37 0.25 0.00 -4.23 -1.26 -4.97 115.64 106.95 2ouu s THR 452 Ca 0.63 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 2ouu s THR 452 Cb -0.19 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.31 2ouu s THR 452 CO 0.57 -0.31 1.83 -1.28 -0.54 0.00 0.00 174.62 174.89 2ouu h SER 453 N 0.72 0.78 -0.92 3.99 0.87 -2.00 -1.88 113.55 115.11 2ouu h SER 453 Ca -0.47 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2ouu h SER 453 Cb 1.25 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 2ouu h SER 453 CO 0.57 0.46 0.53 -0.08 -0.53 0.00 0.00 176.83 177.78 2ouu h GLU 454 N 0.90 1.27 0.10 2.24 4.81 -1.98 -0.65 114.58 121.26 2ouu h GLU 454 Ca 0.41 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2ouu h GLU 454 Cb 0.31 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2ouu h GLU 454 CO -0.22 0.91 -0.05 0.93 -0.73 0.00 0.00 179.01 179.85 2ouu h GLU 455 N 1.28 -0.13 0.01 1.92 5.08 -1.74 -1.35 114.58 119.65 2ouu h GLU 455 Ca 0.33 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 2ouu h GLU 455 Cb -0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2ouu h GLU 455 CO -0.06 0.14 -0.88 0.11 -1.00 0.00 0.00 179.01 177.32 2ouu h TRP 456 N -0.39 0.22 -0.07 4.33 5.08 -1.39 -2.68 115.95 121.05 2ouu h TRP 456 Ca -0.01 -0.12 -0.10 0.00 1.08 0.00 0.00 58.89 59.73 2ouu h TRP 456 Cb 0.32 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 2ouu h TRP 456 CO 0.01 0.95 -0.42 1.96 -1.28 0.00 0.00 178.44 179.66 2ouu h GLN 457 N 0.08 0.16 -0.59 0.12 4.20 -1.17 -1.24 115.11 116.67 2ouu h GLN 457 Ca -0.04 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2ouu h GLN 457 Cb 1.52 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 2ouu h GLN 457 CO 0.13 0.56 0.13 0.78 -0.67 0.00 0.00 178.83 179.75 2ouu h GLY 458 N 1.25 1.02 1.06 3.46 0.00 -1.10 -2.71 103.07 106.05 2ouu h GLY 458 Ca 0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 2ouu h GLY 458 CO 0.06 0.60 0.03 -2.00 0.00 0.00 0.00 176.54 175.23 2ouu h LEU 459 N 0.85 1.00 -1.98 3.11 5.85 -1.11 -2.54 115.31 120.50 2ouu h LEU 459 Ca 0.18 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2ouu h LEU 459 Cb 0.37 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2ouu h LEU 459 CO 0.00 1.05 0.07 -0.03 -0.34 0.00 0.00 178.44 179.19 2ouu h MET 460 N 0.93 0.03 -0.00 1.25 4.05 -0.94 -1.78 114.93 118.47 2ouu h MET 460 Ca 0.17 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2ouu h MET 460 Cb 0.52 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2ouu h MET 460 CO 0.03 0.02 -0.57 1.04 0.23 0.00 0.00 176.91 177.65 2ouu n GLN 461 N -4.51 0.18 -2.09 0.39 1.13 -1.05 -4.95 117.38 106.48 2ouu n GLN 461 Ca -0.01 -0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.52 2ouu n GLN 461 Cb 0.16 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 2ouu n GLN 461 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2ouu s PHE 462 N -2.90 3.05 -0.10 1.08 5.36 -0.67 -5.03 117.98 118.78 2ouu s PHE 462 Ca 0.13 1.26 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 2ouu s PHE 462 Cb 0.17 -3.72 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 2ouu s PHE 462 CO 0.71 -2.15 -0.14 0.99 -1.46 0.00 0.00 175.22 173.16 2ouu s THR 463 N -0.60 1.37 0.39 0.12 2.01 -1.26 -5.05 115.64 112.62 2ouu s THR 463 Ca 0.53 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 2ouu s THR 463 Cb -0.40 -1.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.76 2ouu s THR 463 CO 0.48 0.41 1.14 -0.22 -0.69 0.00 0.00 174.62 175.74 2ouu s LEU 464 N 1.01 4.22 0.27 4.42 2.96 -1.26 -4.97 118.68 125.33 2ouu s LEU 464 Ca -0.07 2.28 -0.30 0.00 -0.22 0.00 0.00 54.13 55.83 2ouu s LEU 464 Cb -0.15 -4.01 -0.10 0.00 0.50 0.00 0.00 46.19 42.43 2ouu s LEU 464 CO -0.01 -0.59 1.40 -2.16 -1.32 0.00 0.00 176.35 173.67 2ouu s PRO 465 N -2.25 4.29 0.19 0.98 0.04 -1.26 -4.92 135.00 132.07 2ouu s PRO 465 Ca 0.56 2.28 -0.13 0.00 0.04 0.00 0.00 61.00 63.75 2ouu s PRO 465 Cb -0.29 -3.10 0.21 0.00 0.04 0.00 0.00 34.50 31.36 2ouu s PRO 465 CO 0.37 -0.36 1.70 -0.39 0.04 0.00 0.00 177.00 178.36 2ouu h VAL 466 N 3.40 0.65 0.00 -0.36 -1.51 -2.03 -2.48 116.25 113.91 2ouu h VAL 466 Ca -0.47 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 2ouu h VAL 466 Cb 1.22 0.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2ouu h VAL 466 CO 0.74 0.03 -0.13 0.03 -1.23 0.00 0.00 177.57 177.01 2ouu h ARG 467 N 0.17 0.00 0.00 5.19 3.08 -2.05 -2.72 114.38 118.05 2ouu h ARG 467 Ca 0.26 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 2ouu h ARG 467 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2ouu h ARG 467 CO -0.39 0.13 -0.52 1.25 -1.07 0.00 0.00 179.97 179.37 2ouu h LEU 468 N 0.00 0.00 -0.64 3.04 5.85 -1.83 -3.34 115.31 118.39 2ouu h LEU 468 Ca -0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2ouu h LEU 468 Cb 0.31 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 2ouu h LEU 468 CO 0.02 0.52 0.18 0.00 -0.34 0.00 0.00 178.44 178.82 2ouu h LYS 470 N 0.32 0.00 -0.09 0.00 2.10 -1.77 -2.53 116.57 114.60 2ouu h LYS 470 Ca 0.34 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.85 2ouu h LYS 470 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2ouu h LYS 470 CO -0.39 0.17 -0.55 0.93 -2.00 0.00 0.00 179.45 177.61 2ouu h GLU 471 N 0.00 0.28 0.00 0.07 4.39 -1.49 -3.01 114.58 114.81 2ouu h GLU 471 Ca -0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2ouu h GLU 471 Cb 0.36 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2ouu h GLU 471 CO 0.02 0.76 -0.06 0.82 -1.16 0.00 0.00 179.01 179.39 2ouu h ILE 472 N 0.21 0.40 0.00 3.13 2.04 -1.26 -2.36 117.51 119.67 2ouu h ILE 472 Ca 0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2ouu h ILE 472 Cb 1.04 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2ouu h ILE 472 CO 0.09 0.06 -0.14 -0.33 0.00 0.00 0.00 178.15 177.83 2ouu h GLU 473 N 0.00 0.00 -6.69 2.37 4.39 -1.60 -3.45 114.58 109.60 2ouu h GLU 473 Ca -0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2ouu h GLU 473 Cb 0.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2ouu h GLU 473 CO 0.01 0.14 0.20 -0.51 -1.16 0.00 0.00 179.01 177.69 2ouu s LEU 474 N -6.59 4.34 0.24 1.33 1.43 -0.89 -4.69 118.68 113.85 2ouu s LEU 474 Ca 0.01 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 2ouu s LEU 474 Cb 0.10 -3.75 0.30 0.00 0.03 0.00 0.00 46.19 42.86 2ouu s LEU 474 CO 0.60 -0.01 1.88 -0.26 0.23 0.00 0.00 176.35 178.80 2ouu h PHE 475 N 3.32 1.10 -0.00 0.29 -1.00 -1.88 -2.80 116.94 115.97 2ouu h PHE 475 Ca -0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.33 2ouu h PHE 475 Cb 1.19 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.39 2ouu h PHE 475 CO 0.63 0.62 -0.01 -2.39 -1.61 0.00 0.00 178.31 175.55 2ouu n HIS 476 N -4.52 0.00 -1.60 -0.55 1.44 -1.26 -4.92 115.22 103.81 2ouu n HIS 476 Ca 0.12 0.00 -0.49 0.00 -2.01 0.00 0.00 57.72 55.34 2ouu n HIS 476 Cb 0.11 -0.19 -0.04 0.00 0.12 0.00 0.00 29.99 29.98 2ouu n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2ouu n PHE 477 N -1.17 1.58 -3.89 -1.40 7.35 -1.06 -4.64 117.46 114.24 2ouu n PHE 477 Ca 0.17 0.59 -0.35 0.00 -0.76 0.00 0.00 57.45 57.10 2ouu n PHE 477 Cb 0.20 -2.35 -0.14 0.00 0.35 0.00 0.00 39.48 37.55 2ouu n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2ouu s ASP 478 N 0.28 4.73 0.11 -2.13 3.68 -1.26 -4.97 116.67 117.10 2ouu s ASP 478 Ca 0.77 -1.00 0.20 0.00 2.13 0.00 0.00 52.55 54.65 2ouu s ASP 478 Cb -0.84 -1.73 0.83 0.00 -1.45 0.00 0.00 42.92 39.73 2ouu s ASP 478 CO 0.49 -0.20 1.63 2.30 0.13 0.00 0.00 175.17 179.52 2ouu n ILE 479 N 4.70 0.80 -0.30 4.11 -5.35 -1.26 -4.32 119.36 117.74 2ouu n ILE 479 Ca -0.15 0.17 -0.01 0.00 -0.27 0.00 0.00 62.75 62.49 2ouu n ILE 479 Cb 0.46 -0.97 0.02 0.00 -1.74 0.00 0.00 39.64 37.41 2ouu n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ouu n GLY 480 N 0.27 -1.61 0.00 3.28 0.00 -1.26 -1.35 105.19 104.52 2ouu n GLY 480 Ca 0.04 0.86 0.02 0.00 0.00 0.00 0.00 46.02 46.93 2ouu n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ouu n PRO 481 N -5.11 0.96 -2.38 1.61 -0.04 -1.26 -4.03 135.00 124.73 2ouu n PRO 481 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 2ouu n PRO 481 Cb 0.30 -1.06 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 2ouu n PRO 481 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ouu n PHE 482 N -0.56 2.50 -0.25 0.54 3.01 -0.46 -4.94 117.46 117.31 2ouu n PHE 482 Ca 0.03 -2.57 0.05 0.00 1.01 0.00 0.00 57.45 55.97 2ouu n PHE 482 Cb 0.01 -0.25 0.18 0.00 -0.01 0.00 0.00 39.48 39.41 2ouu n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2ouu h GLU 483 N 2.49 0.29 0.00 -1.08 4.81 -1.74 0.64 114.58 119.98 2ouu h GLU 483 Ca 0.20 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2ouu h GLU 483 Cb 1.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2ouu h GLU 483 CO 0.66 0.19 -0.00 -2.95 -0.73 0.00 0.00 179.01 176.18 2ouu h ASN 484 N 0.29 0.00 0.12 1.04 -1.07 -1.96 -2.34 115.58 111.67 2ouu h ASN 484 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.78 2ouu h ASN 484 Cb 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 2ouu h ASN 484 CO -0.49 0.00 -0.49 0.23 0.07 0.00 0.00 177.43 176.75 2ouu n MET 485 N -3.12 0.77 -0.08 4.14 2.81 0.21 -4.65 117.12 117.19 2ouu n MET 485 Ca -0.03 -0.57 -0.07 0.00 -1.81 0.00 0.00 57.70 55.22 2ouu n MET 485 Cb 0.09 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 2ouu n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2ouu h TRP 486 N 1.40 -0.64 -0.21 2.03 6.55 -1.31 0.11 115.95 123.89 2ouu h TRP 486 Ca 0.00 0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 2ouu h TRP 486 Cb 0.61 0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 29.23 2ouu h TRP 486 CO 0.00 -0.32 -0.03 -1.00 -1.05 0.00 0.00 178.44 176.04 2ouu h PRO 487 N -0.21 0.31 -0.28 0.49 0.13 -1.83 -2.09 132.00 128.52 2ouu h PRO 487 Ca 0.16 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 2ouu h PRO 487 Cb 0.46 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ouu h PRO 487 CO -0.45 0.36 -0.27 0.78 -0.23 0.00 0.00 178.00 178.19 2ouu h GLY 488 N 0.65 0.60 1.14 1.56 0.00 -1.52 -1.86 103.07 103.63 2ouu h GLY 488 Ca 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2ouu h GLY 488 CO 0.01 0.47 0.14 -2.22 0.00 0.00 0.00 176.54 174.93 2ouu h ILE 489 N 0.48 1.26 -0.48 2.60 2.04 -0.19 -1.75 117.51 121.47 2ouu h ILE 489 Ca 0.06 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2ouu h ILE 489 Cb 0.73 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2ouu h ILE 489 CO 0.06 0.37 0.02 0.15 0.00 0.00 0.00 178.15 178.75 2ouu h PHE 490 N 1.00 0.90 -0.66 1.37 3.57 -0.96 -1.30 116.94 120.87 2ouu h PHE 490 Ca 0.21 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2ouu h PHE 490 Cb 0.39 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2ouu h PHE 490 CO 0.03 0.85 0.41 0.28 -2.23 0.00 0.00 178.31 177.65 2ouu h VAL 491 N 0.69 1.10 -0.53 1.41 2.07 -1.12 -1.28 116.25 118.59 2ouu h VAL 491 Ca 0.14 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2ouu h VAL 491 Cb 0.48 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2ouu h VAL 491 CO 0.02 0.15 0.33 0.22 0.02 0.00 0.00 177.57 178.31 2ouu h TYR 492 N 0.82 0.69 -0.69 1.57 3.20 -1.08 -0.83 116.97 120.64 2ouu h TYR 492 Ca 0.26 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2ouu h TYR 492 Cb 0.00 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2ouu h TYR 492 CO -0.04 0.47 0.26 0.52 -1.64 0.00 0.00 178.16 177.72 2ouu h MET 493 N 0.71 1.05 -0.33 1.82 2.86 -0.77 0.20 114.93 120.47 2ouu h MET 493 Ca 0.19 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2ouu h MET 493 Cb -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2ouu h MET 493 CO -0.04 0.88 0.13 0.28 1.06 0.00 0.00 176.91 179.22 2ouu h VAL 494 N 0.99 1.19 -0.80 -2.22 2.07 -0.97 -1.42 116.25 115.09 2ouu h VAL 494 Ca 0.23 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2ouu h VAL 494 Cb 0.24 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2ouu h VAL 494 CO -0.02 0.20 0.33 0.45 0.02 0.00 0.00 177.57 178.56 2ouu h HIS 495 N 0.39 1.20 0.00 1.57 -0.00 -0.81 0.43 115.15 117.93 2ouu h HIS 495 Ca 0.11 -0.08 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 2ouu h HIS 495 Cb 0.20 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 2ouu h HIS 495 CO -0.00 0.90 -0.40 0.00 -0.00 0.00 0.00 177.93 178.43 2ouu h ARG 496 N 1.16 0.00 0.18 2.45 2.47 -0.86 0.27 114.38 120.06 2ouu h ARG 496 Ca 0.27 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.64 2ouu h ARG 496 Cb 0.19 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2ouu h ARG 496 CO -0.02 0.40 -1.74 0.77 0.56 0.00 0.00 179.97 179.93 2ouu h SER 497 N 0.00 0.61 0.00 7.04 0.02 -0.75 -3.41 113.55 117.05 2ouu h SER 497 Ca -0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2ouu h SER 497 Cb 0.91 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2ouu h SER 497 CO 0.05 1.77 0.00 0.00 -1.14 0.00 0.00 176.83 177.51 2ouu n GLY 499 N -0.32 -0.02 0.28 0.00 0.00 0.08 -4.10 105.19 101.12 2ouu n GLY 499 Ca 0.00 -1.65 0.18 0.00 0.00 0.00 0.00 46.02 44.56 2ouu n GLY 499 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ouu h THR 500 N 0.00 0.00 -0.43 2.61 1.35 -1.90 -2.64 112.91 111.90 2ouu h THR 500 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2ouu h THR 500 Cb 0.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2ouu h THR 500 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2ouu n SER 501 N -2.92 3.19 -0.32 5.36 7.64 -1.26 -4.56 113.62 120.74 2ouu n SER 501 Ca -0.01 -1.95 0.12 0.00 1.01 0.00 0.00 58.87 58.03 2ouu n SER 501 Cb 0.18 -0.29 0.33 0.00 -1.01 0.00 0.00 64.21 63.43 2ouu n SER 501 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ouu s PHE 503 N -5.79 0.70 0.04 0.00 0.08 -1.26 -5.05 117.98 106.70 2ouu s PHE 503 Ca -0.11 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.16 2ouu s PHE 503 Cb 0.23 -0.42 -0.07 0.00 -0.57 0.00 0.00 43.02 42.19 2ouu s PHE 503 CO 0.80 -0.07 1.55 -1.21 -0.10 0.00 0.00 175.22 176.19 2ouu s GLU 504 N -1.51 4.23 0.22 0.44 2.02 -1.26 -4.89 118.70 117.95 2ouu s GLU 504 Ca -0.09 2.18 -0.08 0.00 0.02 0.00 0.00 54.97 57.01 2ouu s GLU 504 Cb -0.10 -3.59 0.36 0.00 0.10 0.00 0.00 34.13 30.90 2ouu s GLU 504 CO 0.01 -0.67 1.72 1.25 0.02 0.00 0.00 175.26 177.58 2ouu h LEU 505 N 8.50 0.13 -0.40 1.80 5.85 -1.96 -0.42 115.31 128.82 2ouu h LEU 505 Ca -0.41 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2ouu h LEU 505 Cb 1.19 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2ouu h LEU 505 CO 0.92 0.06 0.26 -0.33 -0.34 0.00 0.00 178.44 179.01 2ouu h GLU 506 N 0.35 0.53 -0.69 1.25 3.07 -1.97 -0.56 114.58 116.56 2ouu h GLU 506 Ca 0.35 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 2ouu h GLU 506 Cb 0.52 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 2ouu h GLU 506 CO -0.39 0.36 0.14 0.87 -1.40 0.00 0.00 179.01 178.59 2ouu h LYS 507 N 0.54 1.12 -0.75 2.33 1.57 -1.60 -1.15 116.57 118.64 2ouu h LYS 507 Ca 0.15 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2ouu h LYS 507 Cb -0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2ouu h LYS 507 CO -0.03 1.01 0.28 1.25 -0.57 0.00 0.00 179.45 181.39 2ouu h LEU 508 N 1.06 1.05 -0.47 2.94 5.85 -0.72 -0.16 115.31 124.86 2ouu h LEU 508 Ca 0.21 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 2ouu h LEU 508 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2ouu h LEU 508 CO 0.01 0.95 -0.33 0.00 -0.34 0.00 0.00 178.44 178.73 2ouu h ARG 510 N 0.76 0.49 0.02 0.00 3.08 -0.99 -1.84 114.38 115.90 2ouu h ARG 510 Ca 0.08 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2ouu h ARG 510 Cb 0.91 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 2ouu h ARG 510 CO 0.08 0.53 -0.19 0.35 -1.07 0.00 0.00 179.97 179.67 2ouu h PHE 511 N 0.35 -0.49 -0.18 3.04 3.57 -0.87 -0.36 116.94 121.99 2ouu h PHE 511 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2ouu h PHE 511 Cb 0.24 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2ouu h PHE 511 CO 0.01 -0.27 0.06 0.82 -2.23 0.00 0.00 178.31 176.70 2ouu h ILE 512 N -0.32 0.96 0.00 1.41 2.04 -1.11 -0.33 117.51 120.17 2ouu h ILE 512 Ca 0.05 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 2ouu h ILE 512 Cb 0.38 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2ouu h ILE 512 CO -0.16 0.03 -0.36 0.24 0.00 0.00 0.00 178.15 177.89 2ouu h MET 513 N 0.15 0.00 0.02 2.37 2.86 -1.14 -0.93 114.93 118.26 2ouu h MET 513 Ca 0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 2ouu h MET 513 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ouu h MET 513 CO -0.08 0.36 -0.96 0.77 1.06 0.00 0.00 176.91 178.06 2ouu h SER 514 N 0.00 0.40 -0.48 1.22 0.02 -0.76 -2.24 113.55 111.72 2ouu h SER 514 Ca -0.00 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2ouu h SER 514 Cb 0.69 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2ouu h SER 514 CO 0.05 1.16 0.22 0.58 -1.14 0.00 0.00 176.83 177.70 2ouu h VAL 515 N 0.16 1.19 -0.48 2.27 2.07 -0.65 -2.07 116.25 118.74 2ouu h VAL 515 Ca -0.07 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2ouu h VAL 515 Cb 1.61 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2ouu h VAL 515 CO 0.16 0.21 0.20 0.50 0.02 0.00 0.00 177.57 178.65 2ouu h LYS 516 N 0.63 0.38 0.00 1.57 3.64 -1.11 -1.77 116.57 119.90 2ouu h LYS 516 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2ouu h LYS 516 Cb 0.13 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2ouu h LYS 516 CO -0.02 0.25 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.17 2ouu h LYS 517 N 0.39 0.00 -0.74 1.90 3.64 -0.95 -2.49 116.57 118.31 2ouu h LYS 517 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2ouu h LYS 517 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2ouu h LYS 517 CO -0.20 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.09 2ouu n ASN 518 N -3.21 3.98 -4.85 4.20 3.02 -0.68 -4.83 115.26 112.89 2ouu n ASN 518 Ca -0.02 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 2ouu n ASN 518 Cb 0.17 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 2ouu n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ouu s TYR 519 N -1.00 3.68 0.57 3.10 1.51 -0.94 -1.84 117.35 122.42 2ouu s TYR 519 Ca 0.50 0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 57.36 2ouu s TYR 519 Cb 0.26 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2ouu s TYR 519 CO 0.34 0.67 0.82 1.03 -1.11 0.00 0.00 175.55 177.30 2ouu s ARG 520 N -1.14 2.64 -1.37 -0.62 0.52 -1.26 -4.86 118.95 112.86 2ouu s ARG 520 Ca 0.22 -0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 2ouu s ARG 520 Cb -0.15 -2.40 0.10 0.00 0.52 0.00 0.00 34.95 33.02 2ouu s ARG 520 CO 0.11 -0.73 2.19 0.54 0.02 0.00 0.00 175.30 177.43 2ouu n ARG 521 N -2.45 3.66 -3.82 3.54 1.74 -1.26 -4.59 116.66 113.48 2ouu n ARG 521 Ca 0.06 -3.15 -0.21 0.00 -0.77 0.00 0.00 57.85 53.78 2ouu n ARG 521 Cb 0.59 -2.93 -0.03 0.00 -1.02 0.00 0.00 32.46 29.07 2ouu n ARG 521 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ouu s VAL 522 N 0.90 4.18 0.35 1.55 -7.23 -1.26 -5.04 120.40 113.84 2ouu s VAL 522 Ca 0.48 -1.22 0.06 0.00 -1.81 0.00 0.00 61.98 59.49 2ouu s VAL 522 Cb 0.13 -3.41 0.16 0.00 0.56 0.00 0.00 36.38 33.83 2ouu s VAL 522 CO -0.04 -0.24 1.89 -0.65 -0.31 0.00 0.00 175.10 175.75 2ouu h PRO 523 N 1.20 0.44 0.00 4.82 0.11 -1.91 -3.42 132.00 133.23 2ouu h PRO 523 Ca -0.47 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2ouu h PRO 523 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ouu h PRO 523 CO 0.58 0.49 -0.61 0.98 -0.21 0.00 0.00 178.00 179.24 2ouu n TYR 524 N -4.28 -0.11 -1.46 0.65 9.36 -1.26 -4.77 117.16 115.29 2ouu n TYR 524 Ca 0.01 0.02 -0.40 0.00 3.32 0.00 0.00 57.90 60.85 2ouu n TYR 524 Cb 0.25 0.07 -0.02 0.00 -0.63 0.00 0.00 39.34 39.01 2ouu n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2ouu n HIS 525 N -3.10 2.84 -4.17 2.98 8.25 -1.26 -4.38 115.22 116.38 2ouu n HIS 525 Ca 0.00 -2.91 -0.07 0.00 -0.26 0.00 0.00 57.72 54.48 2ouu n HIS 525 Cb 0.30 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.96 2ouu n HIS 525 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ouu n ASN 526 N 4.98 2.23 -0.36 0.41 0.23 -1.26 -4.62 115.26 116.86 2ouu n ASN 526 Ca 0.63 -1.50 0.04 0.00 -0.53 0.00 0.00 54.58 53.22 2ouu n ASN 526 Cb 0.31 0.09 0.20 0.00 -2.08 0.00 0.00 39.78 38.30 2ouu n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2ouu h TRP 527 N 1.07 1.16 -0.54 -2.53 -0.00 -1.89 -1.69 115.95 111.53 2ouu h TRP 527 Ca -0.09 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2ouu h TRP 527 Cb 0.29 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 29.04 2ouu h TRP 527 CO 0.00 0.54 0.32 -0.22 -0.00 0.00 0.00 178.44 179.09 2ouu h LYS 528 N 1.09 0.63 -0.58 2.65 3.64 -1.96 -2.23 116.57 119.80 2ouu h LYS 528 Ca 0.45 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2ouu h LYS 528 Cb 0.30 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2ouu h LYS 528 CO -0.21 0.41 0.37 1.25 -2.27 0.00 0.00 179.45 179.01 2ouu h HIS 529 N 0.64 0.70 -0.36 1.91 2.76 -1.54 -1.03 115.15 118.25 2ouu h HIS 529 Ca 0.22 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 2ouu h HIS 529 Cb 0.02 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 2ouu h HIS 529 CO -0.06 0.43 0.09 0.00 -1.30 0.00 0.00 177.93 177.09 2ouu h ALA 530 N 1.23 0.40 -0.10 5.26 0.00 -0.83 -0.16 119.26 125.06 2ouu h ALA 530 Ca 0.22 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2ouu h ALA 530 Cb -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ouu h ALA 530 CO -0.07 -0.31 -0.57 0.28 0.00 0.00 0.00 179.25 178.59 2ouu h VAL 531 N 0.23 1.36 -0.48 0.00 2.07 -1.17 -1.78 116.25 116.47 2ouu h VAL 531 Ca 0.17 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 2ouu h VAL 531 Cb 0.17 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2ouu h VAL 531 CO -0.20 0.57 0.24 0.74 0.02 0.00 0.00 177.57 178.94 2ouu h THR 532 N 0.23 1.18 -0.47 2.57 2.02 -0.67 0.01 112.91 117.79 2ouu h THR 532 Ca -0.00 -0.50 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 2ouu h THR 532 Cb 1.08 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2ouu h THR 532 CO 0.09 0.20 -0.18 0.58 0.37 0.00 0.00 175.52 176.59 2ouu h VAL 533 N 0.64 1.27 -0.84 3.16 2.07 -0.89 -2.23 116.25 119.42 2ouu h VAL 533 Ca 0.17 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 2ouu h VAL 533 Cb 0.09 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2ouu h VAL 533 CO -0.02 0.46 0.38 0.00 0.02 0.00 0.00 177.57 178.41 2ouu h ALA 534 N 0.86 1.09 -0.70 1.67 0.00 -1.11 -2.25 119.26 118.83 2ouu h ALA 534 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ouu h ALA 534 Cb 0.75 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2ouu h ALA 534 CO 0.06 0.67 0.22 1.25 0.00 0.00 0.00 179.25 181.45 2ouu h HIS 535 N 1.21 1.10 -0.74 0.00 6.17 -0.73 -0.55 115.15 121.61 2ouu h HIS 535 Ca 0.29 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 2ouu h HIS 535 Cb 0.15 -0.32 -0.04 0.00 2.52 0.00 0.00 27.41 29.72 2ouu h HIS 535 CO 0.02 0.87 0.43 0.00 0.71 0.00 0.00 177.93 179.96 2ouu h MET 537 N 1.02 1.18 -0.33 0.00 -1.53 -0.96 -0.58 114.93 113.73 2ouu h MET 537 Ca 0.26 -0.10 0.01 0.00 -3.44 0.00 0.00 59.70 56.44 2ouu h MET 537 Cb -0.00 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 30.77 2ouu h MET 537 CO -0.05 0.82 0.19 -0.92 0.14 0.00 0.00 176.91 177.09 2ouu h TYR 538 N 1.19 0.35 -0.74 1.39 3.20 -0.20 0.10 116.97 122.27 2ouu h TYR 538 Ca 0.31 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2ouu h TYR 538 Cb -0.06 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2ouu h TYR 538 CO -0.00 0.21 0.39 0.00 -1.64 0.00 0.00 178.16 177.12 2ouu h ALA 539 N 1.15 0.95 -0.30 1.82 0.00 -0.50 0.15 119.26 122.53 2ouu h ALA 539 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ouu h ALA 539 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2ouu h ALA 539 CO -0.07 0.48 0.13 0.82 0.00 0.00 0.00 179.25 180.61 2ouu h ILE 540 N 1.03 1.17 -0.42 0.00 2.04 -0.72 -2.88 117.51 117.73 2ouu h ILE 540 Ca 0.26 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 2ouu h ILE 540 Cb 0.06 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2ouu h ILE 540 CO -0.04 0.18 0.03 -0.07 0.00 0.00 0.00 178.15 178.25 2ouu h LEU 541 N 0.34 0.61 -1.40 1.44 3.38 -0.30 -1.59 115.31 117.79 2ouu h LEU 541 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ouu h LEU 541 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ouu h LEU 541 CO -0.01 0.66 0.00 1.56 0.09 0.00 0.00 178.44 180.74 2ouu h GLN 542 N 0.62 0.00 -0.20 1.13 1.08 -0.51 0.86 115.11 118.09 2ouu h GLN 542 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2ouu h GLN 542 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2ouu h GLN 542 CO 0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 2ouu n ASN 543 N -2.62 2.58 -0.50 1.46 3.02 -0.66 -4.53 115.26 114.02 2ouu n ASN 543 Ca 0.00 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 2ouu n ASN 543 Cb 0.19 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2ouu n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ouu n ASN 544 N 0.76 0.00 -0.17 6.41 3.02 -0.81 -4.82 115.26 119.64 2ouu n ASN 544 Ca 0.11 -1.43 0.14 0.00 -0.03 0.00 0.00 54.58 53.36 2ouu n ASN 544 Cb 0.40 -0.09 0.48 0.00 -0.61 0.00 0.00 39.78 39.96 2ouu n ASN 544 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2ouu h HIS 545 N 0.00 0.54 0.00 3.10 2.07 0.49 -1.26 115.15 120.09 2ouu h HIS 545 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2ouu h HIS 545 Cb 1.17 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.98 2ouu h HIS 545 CO -0.12 0.21 0.00 0.25 -3.07 0.00 0.00 177.93 175.21 2ouu n THR 546 N -4.49 0.93 0.70 6.12 -2.24 -1.26 -2.20 114.28 111.83 2ouu n THR 546 Ca 0.14 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 2ouu n THR 546 Cb 0.49 -1.03 0.27 0.00 -2.10 0.00 0.00 70.33 67.97 2ouu n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ouu n LEU 547 N -1.70 0.62 -4.40 3.22 4.77 -0.48 -4.89 117.00 114.14 2ouu n LEU 547 Ca 0.03 0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 56.00 2ouu n LEU 547 Cb 0.19 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 2ouu n LEU 547 CO 0.16 -0.04 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.25 2ouu s PHE 548 N -3.11 2.33 0.73 -1.77 0.40 -0.94 -5.12 117.98 110.52 2ouu s PHE 548 Ca 0.09 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.93 2ouu s PHE 548 Cb 0.14 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.43 2ouu s PHE 548 CO 0.67 0.32 1.10 0.95 0.70 0.00 0.00 175.22 178.97 2ouu s THR 549 N -1.04 3.28 0.24 0.64 -4.23 -1.26 -4.85 115.64 108.42 2ouu s THR 549 Ca 0.14 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 61.00 2ouu s THR 549 Cb -0.10 -3.36 0.23 0.00 1.34 0.00 0.00 72.50 70.61 2ouu s THR 549 CO 0.06 -0.54 1.91 -0.78 -0.54 0.00 0.00 174.62 174.72 2ouu h ASP 550 N -0.78 1.04 -0.61 3.99 -0.00 -1.96 -0.48 116.42 117.63 2ouu h ASP 550 Ca -0.45 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 56.51 2ouu h ASP 550 Cb 1.26 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 40.31 2ouu h ASP 550 CO 0.63 0.74 0.20 0.25 -0.00 0.00 0.00 179.24 181.06 2ouu h LEU 551 N 1.22 0.87 -0.53 2.28 5.85 -1.99 -1.52 115.31 121.49 2ouu h LEU 551 Ca 0.35 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2ouu h LEU 551 Cb -0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2ouu h LEU 551 CO -0.09 0.84 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.44 2ouu h GLU 552 N 0.86 1.00 -0.51 1.25 5.08 -1.81 -0.45 114.58 119.99 2ouu h GLU 552 Ca 0.20 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2ouu h GLU 552 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2ouu h GLU 552 CO -0.01 1.04 0.21 0.00 -1.00 0.00 0.00 179.01 179.25 2ouu h ARG 553 N 0.87 0.76 -0.18 2.33 3.08 -0.83 0.12 114.38 120.53 2ouu h ARG 553 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2ouu h ARG 553 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2ouu h ARG 553 CO 0.04 0.67 0.09 0.87 -1.07 0.00 0.00 179.97 180.57 2ouu h LYS 554 N 0.68 0.26 -0.68 0.04 1.57 -1.17 -2.27 116.57 115.00 2ouu h LYS 554 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2ouu h LYS 554 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2ouu h LYS 554 CO -0.01 0.28 0.41 0.78 -0.57 0.00 0.00 179.45 180.34 2ouu h GLY 555 N 0.17 0.98 1.35 3.86 0.00 -0.83 -2.21 103.07 106.39 2ouu h GLY 555 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2ouu h GLY 555 CO -0.01 0.39 -0.33 1.41 0.00 0.00 0.00 176.54 178.00 2ouu h LEU 556 N 0.92 0.76 -0.53 3.11 3.38 -0.68 0.70 115.31 122.96 2ouu h LEU 556 Ca 0.24 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2ouu h LEU 556 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2ouu h LEU 556 CO -0.05 1.02 -0.15 -0.07 0.09 0.00 0.00 178.44 179.28 2ouu h LEU 557 N 0.61 1.04 -0.38 1.67 3.38 -1.26 -0.51 115.31 119.85 2ouu h LEU 557 Ca 0.07 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 2ouu h LEU 557 Cb 0.86 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ouu h LEU 557 CO 0.07 1.17 -0.27 0.40 0.09 0.00 0.00 178.44 179.91 2ouu h ILE 558 N 0.90 1.28 -0.77 1.22 1.08 -1.29 -1.84 117.51 118.09 2ouu h ILE 558 Ca 0.13 -1.42 0.03 0.00 -0.39 0.00 0.00 64.86 63.21 2ouu h ILE 558 Cb 0.73 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 2ouu h ILE 558 CO 0.06 0.47 0.49 0.00 -0.69 0.00 0.00 178.15 178.48 2ouu h ALA 559 N 0.79 1.02 -0.50 1.87 0.00 -0.65 -0.79 119.26 120.99 2ouu h ALA 559 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ouu h ALA 559 Cb 0.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ouu h ALA 559 CO 0.07 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2ouu h LEU 561 N 0.70 0.32 -2.02 0.00 5.85 -0.75 -3.02 115.31 116.39 2ouu h LEU 561 Ca 0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2ouu h LEU 561 Cb 0.37 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2ouu h LEU 561 CO 0.01 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 178.52 2ouu h HIS 563 N 4.65 0.00 0.00 0.00 2.07 -0.42 -1.73 115.15 119.72 2ouu h HIS 563 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2ouu h HIS 563 Cb 1.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.90 2ouu h HIS 563 CO 0.06 0.00 -0.46 -0.25 -3.07 0.00 0.00 177.93 174.21 2ouu n ASP 564 N -2.98 1.55 -4.65 3.10 8.00 -1.26 -4.87 116.55 115.44 2ouu n ASP 564 Ca -0.03 -3.11 -0.49 0.00 0.71 0.00 0.00 54.79 51.87 2ouu n ASP 564 Cb 0.09 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 2ouu n ASP 564 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ouu n LEU 565 N -0.78 2.66 -1.91 0.64 7.94 -0.65 -1.73 117.00 123.17 2ouu n LEU 565 Ca 0.14 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.95 2ouu n LEU 565 Cb 0.76 -1.32 -0.00 0.00 0.53 0.00 0.00 43.42 43.39 2ouu n LEU 565 CO -0.02 -0.48 -0.18 -0.67 -1.11 0.00 0.00 177.39 174.92 2ouu n ASP 566 N 3.89 -4.84 -4.77 1.96 2.03 -0.77 -4.44 116.55 109.60 2ouu n ASP 566 Ca 0.19 -0.04 -0.41 0.00 0.52 0.00 0.00 54.79 55.06 2ouu n ASP 566 Cb 0.25 -3.93 -0.01 0.00 -0.72 0.00 0.00 41.12 36.70 2ouu n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ouu s HIS 567 N -2.83 2.89 -2.66 -0.67 5.65 -0.71 -4.92 115.29 112.03 2ouu s HIS 567 Ca 0.03 1.34 0.24 0.00 0.25 0.00 0.00 55.06 56.92 2ouu s HIS 567 Cb -0.01 -3.78 0.29 0.00 -1.18 0.00 0.00 32.58 27.89 2ouu s HIS 567 CO 0.03 -2.22 1.30 0.54 -0.65 0.00 0.00 174.74 173.75 2ouu n ARG 568 N 0.63 1.92 -0.45 2.88 5.12 -1.26 -4.42 116.66 121.07 2ouu n ARG 568 Ca 0.01 -1.53 0.00 0.00 -1.93 0.00 0.00 57.85 54.40 2ouu n ARG 568 Cb 0.41 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2ouu n ARG 568 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ouu n GLY 569 N 1.34 0.76 3.36 -0.13 0.00 -1.26 -5.03 105.19 104.23 2ouu n GLY 569 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2ouu n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ouu s PHE 570 N -2.34 2.44 0.73 1.61 0.40 -1.26 -4.71 117.98 114.85 2ouu s PHE 570 Ca 0.00 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2ouu s PHE 570 Cb 0.00 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 42.02 2ouu s PHE 570 CO 0.00 0.04 1.09 -1.54 0.70 0.00 0.00 175.22 175.51 2ouu s SER 571 N -0.68 5.22 0.39 1.36 1.04 -1.26 -4.91 113.70 114.86 2ouu s SER 571 Ca 0.11 1.24 0.07 0.00 0.48 0.00 0.00 55.95 57.84 2ouu s SER 571 Cb -0.10 -2.04 0.79 0.00 0.10 0.00 0.00 66.02 64.77 2ouu s SER 571 CO -0.00 -1.50 1.98 0.78 0.98 0.00 0.00 173.24 175.48 2ouu h ASN 572 N -0.76 0.40 -0.69 7.02 2.35 -2.00 -2.05 115.58 119.85 2ouu h ASN 572 Ca -0.45 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2ouu h ASN 572 Cb 1.25 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2ouu h ASN 572 CO 0.62 0.39 0.44 0.28 -1.65 0.00 0.00 177.43 177.51 2ouu h SER 573 N 0.44 0.73 0.03 5.81 0.02 -1.99 -1.03 113.55 117.56 2ouu h SER 573 Ca 0.11 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ouu h SER 573 Cb 0.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2ouu h SER 573 CO -0.01 0.52 -0.01 0.22 -1.14 0.00 0.00 176.83 176.40 2ouu h TYR 574 N 0.87 -0.04 -0.93 3.45 3.20 -1.77 -1.10 116.97 120.65 2ouu h TYR 574 Ca 0.27 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.20 2ouu h TYR 574 Cb -0.02 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 2ouu h TYR 574 CO -0.04 0.28 0.59 -0.07 -1.64 0.00 0.00 178.16 177.29 2ouu h LEU 575 N -0.36 0.95 -0.12 2.82 3.38 -1.15 -0.95 115.31 119.87 2ouu h LEU 575 Ca -0.00 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 2ouu h LEU 575 Cb 0.34 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ouu h LEU 575 CO 0.01 0.61 -0.90 1.56 0.09 0.00 0.00 178.44 179.81 2ouu h GLN 576 N 1.09 0.67 -0.85 1.13 4.20 -1.18 0.16 115.11 120.33 2ouu h GLN 576 Ca 0.40 -0.64 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 2ouu h GLN 576 Cb 0.15 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2ouu h GLN 576 CO -0.17 1.24 0.41 -0.22 -0.67 0.00 0.00 178.83 179.42 2ouu h LYS 577 N 0.42 1.22 -0.82 1.46 1.63 -0.65 -2.80 116.57 117.04 2ouu h LYS 577 Ca -0.08 -0.18 -0.35 0.00 -0.85 0.00 0.00 60.65 59.19 2ouu h LYS 577 Cb 1.54 -0.22 -0.21 0.00 -0.60 0.00 0.00 32.23 32.74 2ouu h LYS 577 CO 0.18 0.93 0.41 1.19 -3.45 0.00 0.00 179.45 178.71 2ouu n PHE 578 N -4.32 2.59 -4.01 1.91 3.01 -0.41 -4.96 117.46 111.28 2ouu n PHE 578 Ca 0.08 -1.54 -0.32 0.00 1.01 0.00 0.00 57.45 56.68 2ouu n PHE 578 Cb 0.14 -0.79 -0.03 0.00 -0.01 0.00 0.00 39.48 38.79 2ouu n PHE 578 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ouu n ASP 579 N -0.72 -1.32 -4.78 4.37 8.00 -1.06 -4.89 116.55 116.15 2ouu n ASP 579 Ca 0.49 -1.06 -0.37 0.00 0.71 0.00 0.00 54.79 54.56 2ouu n ASP 579 Cb 1.48 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 2ouu n ASP 579 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2ouu s HIS 580 N -3.96 3.13 0.45 1.24 5.65 0.02 -4.90 115.29 116.91 2ouu s HIS 580 Ca 0.21 1.60 0.24 0.00 0.25 0.00 0.00 55.06 57.36 2ouu s HIS 580 Cb -0.12 -3.21 1.24 0.00 -1.18 0.00 0.00 32.58 29.31 2ouu s HIS 580 CO 0.81 -0.94 1.81 -1.35 -0.65 0.00 0.00 174.74 174.42 2ouu h PRO 581 N 2.32 0.26 -0.27 2.88 0.11 -1.90 0.20 132.00 135.60 2ouu h PRO 581 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2ouu h PRO 581 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2ouu h PRO 581 CO 0.61 0.17 0.02 -0.07 -0.21 0.00 0.00 178.00 178.52 2ouu h LEU 582 N 0.26 0.37 -0.52 2.35 3.38 -1.93 -1.54 115.31 117.69 2ouu h LEU 582 Ca 0.54 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 2ouu h LEU 582 Cb 1.62 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 2ouu h LEU 582 CO -0.18 0.42 -0.12 0.00 0.09 0.00 0.00 178.44 178.65 2ouu h ALA 583 N 1.64 0.95 0.11 1.53 0.00 -0.82 0.39 119.26 123.06 2ouu h ALA 583 Ca 0.09 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2ouu h ALA 583 Cb 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ouu h ALA 583 CO 0.00 0.15 -1.22 0.00 0.00 0.00 0.00 179.25 178.18 2ouu h ALA 584 N 1.88 0.05 -0.14 0.00 0.00 -1.09 -3.22 119.26 116.74 2ouu h ALA 584 Ca -0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 54.91 53.89 2ouu h ALA 584 Cb 0.91 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ouu h ALA 584 CO 0.02 0.75 -0.80 1.25 0.00 0.00 0.00 179.25 180.46 2ouu h LEU 585 N 0.24 0.95 -7.35 0.00 5.85 -1.18 -3.40 115.31 110.42 2ouu h LEU 585 Ca -0.17 -0.64 -0.63 0.00 0.84 0.00 0.00 57.88 57.28 2ouu h LEU 585 Cb 1.90 -0.28 -0.40 0.00 0.37 0.00 0.00 40.66 42.24 2ouu h LEU 585 CO 0.23 1.44 -0.70 -0.31 -0.34 0.00 0.00 178.44 178.76 2ouu s TYR 586 N -3.71 2.88 0.22 1.25 2.02 0.12 -5.01 117.35 115.12 2ouu s TYR 586 Ca -0.10 -2.78 -0.08 0.00 -0.37 0.00 0.00 57.07 53.74 2ouu s TYR 586 Cb 0.08 -2.50 0.35 0.00 -0.40 0.00 0.00 41.96 39.49 2ouu s TYR 586 CO 0.91 -0.83 1.72 1.03 -1.57 0.00 0.00 175.55 176.81 2ouu h SER 587 N 7.06 0.11 -3.41 2.29 0.87 -1.77 -3.37 113.55 115.32 2ouu h SER 587 Ca -0.06 0.11 -0.43 0.00 -1.23 0.00 0.00 61.79 60.18 2ouu h SER 587 Cb 0.95 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2ouu h SER 587 CO 0.57 0.05 -0.68 0.42 -0.53 0.00 0.00 176.83 176.66 2ouu s THR 588 N -6.08 1.38 -1.61 2.23 -4.23 -1.26 -4.74 115.64 101.33 2ouu s THR 588 Ca -0.13 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.19 2ouu s THR 588 Cb 0.19 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.81 2ouu s THR 588 CO 0.75 -0.38 0.50 -1.20 -0.54 0.00 0.00 174.62 173.74 2ouu n SER 589 N -0.46 -1.39 0.01 3.99 7.64 -1.26 -4.81 113.62 117.34 2ouu n SER 589 Ca -0.06 -1.09 -0.14 0.00 1.01 0.00 0.00 58.87 58.59 2ouu n SER 589 Cb 0.63 -2.47 -0.09 0.00 -1.01 0.00 0.00 64.21 61.27 2ouu n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ouu h THR 590 N -1.58 0.00 -0.26 0.44 2.02 -1.85 -0.92 112.91 110.75 2ouu h THR 590 Ca -0.62 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 2ouu h THR 590 Cb 1.38 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2ouu h THR 590 CO 0.74 0.00 -0.18 0.24 0.37 0.00 0.00 175.52 176.69 2ouu h MET 591 N -0.56 0.47 -0.64 6.66 2.86 -1.90 -2.73 114.93 119.09 2ouu h MET 591 Ca 0.02 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 2ouu h MET 591 Cb 0.63 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2ouu h MET 591 CO -0.38 0.63 0.07 0.93 1.06 0.00 0.00 176.91 179.23 2ouu h GLU 592 N 0.43 1.08 -0.31 1.72 3.07 -1.81 0.15 114.58 118.91 2ouu h GLU 592 Ca 0.07 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.56 2ouu h GLU 592 Cb 0.56 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 2ouu h GLU 592 CO 0.04 1.01 -0.08 1.96 -1.40 0.00 0.00 179.01 180.54 2ouu h GLN 593 N 1.01 0.51 -0.40 2.33 4.20 -1.05 -1.86 115.11 119.85 2ouu h GLN 593 Ca 0.19 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2ouu h GLN 593 Cb 0.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2ouu h GLN 593 CO 0.02 0.60 -0.16 1.25 -0.67 0.00 0.00 178.83 179.87 2ouu h HIS 594 N 0.48 0.93 -0.89 2.96 2.76 -1.05 -1.79 115.15 118.55 2ouu h HIS 594 Ca 0.09 -0.22 0.02 0.00 -2.20 0.00 0.00 60.37 58.06 2ouu h HIS 594 Cb 0.44 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 2ouu h HIS 594 CO 0.01 0.97 0.58 0.45 -1.30 0.00 0.00 177.93 178.64 2ouu h HIS 595 N 0.62 1.09 -0.48 5.26 3.86 -0.27 -0.23 115.15 125.00 2ouu h HIS 595 Ca 0.09 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 2ouu h HIS 595 Cb 0.71 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2ouu h HIS 595 CO 0.06 0.65 -0.04 0.35 0.86 0.00 0.00 177.93 179.81 2ouu h PHE 596 N 1.15 0.98 -0.97 2.45 3.57 -1.21 -1.62 116.94 121.28 2ouu h PHE 596 Ca 0.34 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2ouu h PHE 596 Cb -0.06 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 2ouu h PHE 596 CO -0.01 0.93 0.61 1.03 -2.23 0.00 0.00 178.31 178.64 2ouu h SER 597 N 0.74 1.14 0.16 0.41 0.87 -0.67 -1.58 113.55 114.62 2ouu h SER 597 Ca 0.13 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2ouu h SER 597 Cb 0.57 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2ouu h SER 597 CO 0.03 0.85 -0.35 1.56 -0.53 0.00 0.00 176.83 178.40 2ouu h GLN 598 N 1.33 0.28 -0.20 2.24 1.08 -0.87 -1.64 115.11 117.32 2ouu h GLN 598 Ca 0.35 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 2ouu h GLN 598 Cb -0.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2ouu h GLN 598 CO -0.07 0.60 0.06 1.15 -0.95 0.00 0.00 178.83 179.62 2ouu h THR 599 N 0.24 1.19 -0.65 -0.54 2.02 -0.48 -1.45 112.91 113.24 2ouu h THR 599 Ca 0.03 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2ouu h THR 599 Cb 0.74 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2ouu h THR 599 CO 0.06 0.19 0.33 0.58 0.37 0.00 0.00 175.52 177.04 2ouu h VAL 600 N 0.15 1.21 -0.30 3.16 2.07 -1.15 -2.26 116.25 119.12 2ouu h VAL 600 Ca 0.06 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2ouu h VAL 600 Cb 0.23 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2ouu h VAL 600 CO -0.00 0.24 -0.07 0.28 0.02 0.00 0.00 177.57 178.04 2ouu h SER 601 N 0.92 0.47 -0.00 0.57 0.02 -0.88 -2.48 113.55 112.17 2ouu h SER 601 Ca 0.23 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 2ouu h SER 601 Cb 0.07 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2ouu h SER 601 CO -0.03 0.59 -0.56 0.40 -1.14 0.00 0.00 176.83 176.08 2ouu h ILE 602 N 0.47 1.32 0.00 3.27 2.04 -0.71 -2.63 117.51 121.27 2ouu h ILE 602 Ca 0.09 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2ouu h ILE 602 Cb 0.41 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2ouu h ILE 602 CO 0.02 0.57 -0.00 -0.07 0.00 0.00 0.00 178.15 178.66 2ouu h LEU 603 N 0.45 0.00 -0.03 1.44 3.38 -1.04 -1.31 115.31 118.20 2ouu h LEU 603 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ouu h LEU 603 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2ouu h LEU 603 CO 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.59 2ouu n GLN 604 N -4.11 0.23 -2.21 1.13 6.02 -0.99 -2.77 117.38 114.67 2ouu n GLN 604 Ca -0.03 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.57 2ouu n GLN 604 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 2ouu n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ouu s LEU 605 N -2.79 3.84 0.05 1.08 1.43 -0.50 -4.89 118.68 116.90 2ouu s LEU 605 Ca 0.21 2.28 -0.35 0.00 -1.03 0.00 0.00 54.13 55.23 2ouu s LEU 605 Cb 0.19 -4.45 -0.14 0.00 0.03 0.00 0.00 46.19 41.82 2ouu s LEU 605 CO 0.51 -1.18 1.58 1.21 0.23 0.00 0.00 176.35 178.71 2ouu n GLU 606 N -1.03 1.76 -1.33 1.70 2.13 -1.26 -1.40 120.64 121.20 2ouu n GLU 606 Ca 0.10 0.64 -0.11 0.00 0.66 0.00 0.00 57.16 58.45 2ouu n GLU 606 Cb 0.49 -2.38 -0.05 0.00 0.27 0.00 0.00 31.44 29.78 2ouu n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ouu n GLY 607 N 3.43 1.20 0.16 8.31 0.00 -1.26 -4.87 105.19 112.16 2ouu n GLY 607 Ca 0.19 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.01 2ouu n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ouu n HIS 608 N -2.52 0.00 -2.65 1.61 8.25 -0.50 -4.27 115.22 115.14 2ouu n HIS 608 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 2ouu n HIS 608 Cb 0.44 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2ouu n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ouu s ASN 609 N -2.02 6.54 0.20 0.41 3.84 -1.11 -4.65 114.94 118.15 2ouu s ASN 609 Ca 0.09 -1.62 0.19 0.00 0.21 0.00 0.00 52.86 51.73 2ouu s ASN 609 Cb 0.11 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 39.14 2ouu s ASN 609 CO 0.46 -1.40 1.58 2.30 -2.79 0.00 0.00 177.10 177.25 2ouu n ILE 610 N 6.55 1.05 0.73 -5.21 -5.35 -1.26 -2.43 119.36 113.43 2ouu n ILE 610 Ca 0.31 0.40 0.10 0.00 -0.27 0.00 0.00 62.75 63.29 2ouu n ILE 610 Cb 0.50 -1.33 0.09 0.00 -1.74 0.00 0.00 39.64 37.16 2ouu n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2ouu n PHE 611 N -2.04 0.04 0.28 4.28 0.99 -1.26 -4.58 117.46 115.17 2ouu n PHE 611 Ca 0.01 -0.03 0.15 0.00 -0.00 0.00 0.00 57.45 57.58 2ouu n PHE 611 Cb 0.14 -0.00 0.81 0.00 -1.00 0.00 0.00 39.48 39.43 2ouu n PHE 611 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2ouu h SER 612 N 3.72 0.00 0.18 4.37 0.02 -1.89 -2.08 113.55 117.87 2ouu h SER 612 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ouu h SER 612 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2ouu h SER 612 CO 0.00 0.08 0.00 0.35 -1.14 0.00 0.00 176.83 176.12 2ouu n THR 613 N -3.59 0.01 -2.16 -2.27 -2.24 -1.26 -4.80 114.28 97.97 2ouu n THR 613 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 2ouu n THR 613 Cb 0.19 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 2ouu n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ouu s LEU 614 N -2.19 3.49 0.91 3.22 1.43 -0.79 -5.02 118.68 119.73 2ouu s LEU 614 Ca 0.41 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 2ouu s LEU 614 Cb 0.21 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 42.06 2ouu s LEU 614 CO 0.39 -0.84 1.11 -0.94 0.23 0.00 0.00 176.35 176.31 2ouu s SER 615 N -3.26 3.18 0.41 2.29 1.04 -1.26 -4.69 113.70 111.41 2ouu s SER 615 Ca 0.59 1.90 0.07 0.00 0.48 0.00 0.00 55.95 58.99 2ouu s SER 615 Cb -0.12 -2.46 0.87 0.00 0.10 0.00 0.00 66.02 64.41 2ouu s SER 615 CO 0.38 -2.89 2.06 0.77 0.98 0.00 0.00 173.24 174.54 2ouu h SER 616 N -1.72 0.46 -0.23 7.02 4.64 -1.95 -0.02 113.55 121.75 2ouu h SER 616 Ca -0.47 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 2ouu h SER 616 Cb 1.27 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ouu h SER 616 CO 0.47 0.33 -0.20 -1.28 -0.87 0.00 0.00 176.83 175.29 2ouu h SER 617 N 0.55 0.58 0.53 4.97 0.87 -2.00 -2.61 113.55 116.43 2ouu h SER 617 Ca 0.15 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.17 2ouu h SER 617 Cb -0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2ouu h SER 617 CO -0.03 0.92 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.45 2ouu h GLU 618 N 0.25 0.00 -0.19 2.24 5.08 -1.79 -1.47 114.58 118.69 2ouu h GLU 618 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2ouu h GLU 618 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2ouu h GLU 618 CO 0.05 0.41 0.04 -0.92 -1.00 0.00 0.00 179.01 177.58 2ouu h TYR 619 N 0.00 0.33 -0.78 4.33 3.20 -0.92 0.09 116.97 123.22 2ouu h TYR 619 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 2ouu h TYR 619 Cb 0.78 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 2ouu h TYR 619 CO 0.00 0.45 0.33 0.93 -1.64 0.00 0.00 178.16 178.24 2ouu h GLU 620 N 0.12 1.14 -0.49 1.82 5.08 -1.26 -2.25 114.58 118.73 2ouu h GLU 620 Ca 0.06 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2ouu h GLU 620 Cb 0.30 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2ouu h GLU 620 CO 0.00 0.90 0.13 1.96 -1.00 0.00 0.00 179.01 181.01 2ouu h GLN 621 N 1.12 0.78 -0.10 2.33 4.20 -0.94 -2.33 115.11 120.17 2ouu h GLN 621 Ca 0.26 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 2ouu h GLN 621 Cb 0.17 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2ouu h GLN 621 CO -0.03 0.75 -0.53 -0.24 -0.67 0.00 0.00 178.83 178.11 2ouu h VAL 622 N 0.67 1.35 -0.23 -0.54 3.04 -0.81 -1.33 116.25 118.41 2ouu h VAL 622 Ca 0.16 -1.81 -0.08 0.00 -1.01 0.00 0.00 66.70 63.96 2ouu h VAL 622 Cb 0.31 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 2ouu h VAL 622 CO -0.00 0.54 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.84 2ouu h LEU 623 N 0.22 0.40 -0.36 3.16 4.07 -1.29 -0.80 115.31 120.72 2ouu h LEU 623 Ca 0.00 -0.11 -0.18 0.00 0.08 0.00 0.00 57.88 57.67 2ouu h LEU 623 Cb 1.01 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 2ouu h LEU 623 CO 0.09 0.61 -0.53 -0.33 -1.08 0.00 0.00 178.44 177.19 2ouu h GLU 624 N 0.37 0.81 -0.41 1.13 4.39 -1.06 0.11 114.58 119.93 2ouu h GLU 624 Ca 0.06 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 2ouu h GLU 624 Cb 0.54 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2ouu h GLU 624 CO 0.04 1.14 0.24 0.82 -1.16 0.00 0.00 179.01 180.08 2ouu h ILE 625 N 0.63 1.14 -0.41 3.13 2.04 -0.92 -1.52 117.51 121.59 2ouu h ILE 625 Ca 0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2ouu h ILE 625 Cb 1.12 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2ouu h ILE 625 CO 0.12 0.14 0.06 0.40 0.00 0.00 0.00 178.15 178.87 2ouu h ILE 626 N 0.53 1.24 0.09 -0.67 2.04 -1.03 -0.77 117.51 118.95 2ouu h ILE 626 Ca 0.15 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2ouu h ILE 626 Cb 0.02 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2ouu h ILE 626 CO -0.03 0.30 -0.08 -0.09 0.00 0.00 0.00 178.15 178.26 2ouu h ARG 627 N 0.54 -0.17 -0.71 2.37 2.43 -0.80 -0.06 114.38 117.98 2ouu h ARG 627 Ca 0.12 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2ouu h ARG 627 Cb 0.38 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2ouu h ARG 627 CO 0.01 -0.12 0.25 0.87 -1.51 0.00 0.00 179.97 179.47 2ouu h LYS 628 N -0.18 1.08 -0.45 0.20 1.57 -1.24 -0.65 116.57 116.90 2ouu h LYS 628 Ca 0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 2ouu h LYS 628 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2ouu h LYS 628 CO -0.02 0.90 0.11 0.00 -0.57 0.00 0.00 179.45 179.87 2ouu h ALA 629 N 1.23 0.59 -0.38 3.86 0.00 -0.82 0.28 119.26 124.02 2ouu h ALA 629 Ca 0.24 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2ouu h ALA 629 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ouu h ALA 629 CO -0.01 0.27 -0.21 0.82 0.00 0.00 0.00 179.25 180.13 2ouu h ILE 630 N 0.59 1.28 -0.57 0.00 2.04 -0.83 -2.78 117.51 117.24 2ouu h ILE 630 Ca 0.14 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 2ouu h ILE 630 Cb 0.32 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2ouu h ILE 630 CO 0.00 0.45 0.27 0.40 0.00 0.00 0.00 178.15 179.26 2ouu h ILE 631 N 0.61 1.19 -0.00 -0.67 1.08 -0.98 -1.96 117.51 116.78 2ouu h ILE 631 Ca 0.08 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2ouu h ILE 631 Cb 0.76 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2ouu h ILE 631 CO 0.06 0.23 0.02 0.00 -0.69 0.00 0.00 178.15 177.77 2ouu h ALA 632 N 1.49 1.03 0.00 1.87 0.00 -0.65 -1.59 119.26 121.41 2ouu h ALA 632 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ouu h ALA 632 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ouu h ALA 632 CO -0.03 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2ouu n THR 633 N -3.09 0.00 -2.48 0.00 -2.24 -0.74 -4.58 114.28 101.15 2ouu n THR 633 Ca -0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2ouu n THR 633 Cb 0.09 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 2ouu n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ouu s ASP 634 N -1.94 6.51 0.59 3.42 2.15 -0.60 -4.89 116.67 121.91 2ouu s ASP 634 Ca 0.38 0.67 0.29 0.00 0.43 0.00 0.00 52.55 54.32 2ouu s ASP 634 Cb 0.17 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.88 2ouu s ASP 634 CO 0.29 -1.32 2.08 -0.07 -0.17 0.00 0.00 175.17 175.98 2ouu h LEU 635 N 11.61 0.00 -1.92 -1.34 3.38 -1.90 -0.71 115.31 124.44 2ouu h LEU 635 Ca -0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2ouu h LEU 635 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2ouu h LEU 635 CO 1.10 0.00 0.16 0.00 0.09 0.00 0.00 178.44 179.80 2ouu h ALA 636 N 1.73 2.10 0.00 1.53 0.00 -1.94 -1.67 119.26 121.01 2ouu h ALA 636 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ouu h ALA 636 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ouu h ALA 636 CO -0.00 -0.15 -0.39 -0.07 0.00 0.00 0.00 179.25 178.64 2ouu h LEU 637 N 0.10 0.00 -0.53 0.00 3.38 -1.46 -3.36 115.31 113.44 2ouu h LEU 637 Ca 0.11 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2ouu h LEU 637 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2ouu h LEU 637 CO -0.01 0.01 0.34 0.22 0.09 0.00 0.00 178.44 179.09 2ouu h TYR 638 N 0.00 0.64 -0.19 1.13 3.20 -1.32 -2.28 116.97 118.15 2ouu h TYR 638 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2ouu h TYR 638 Cb 0.94 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2ouu h TYR 638 CO 0.00 0.39 -0.08 0.74 -1.64 0.00 0.00 178.16 177.57 2ouu h PHE 639 N 0.69 -0.19 -0.55 -3.82 -1.00 -1.71 0.96 116.94 111.31 2ouu h PHE 639 Ca 0.20 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.89 2ouu h PHE 639 Cb -0.05 0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2ouu h PHE 639 CO -0.05 -0.13 -0.08 0.78 -1.61 0.00 0.00 178.31 177.23 2ouu h GLY 640 N -0.05 1.10 0.92 -1.45 0.00 -1.79 -2.06 103.07 99.73 2ouu h GLY 640 Ca 0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2ouu h GLY 640 CO -0.23 0.78 0.10 -0.57 0.00 0.00 0.00 176.54 176.62 2ouu h ASN 641 N 0.91 0.53 -0.73 0.19 -0.00 -0.93 -1.49 115.58 114.07 2ouu h ASN 641 Ca 0.15 -0.22 -0.07 0.00 -0.00 0.00 0.00 56.30 56.16 2ouu h ASN 641 Cb 0.63 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.78 2ouu h ASN 641 CO 0.04 0.62 0.19 -0.09 -0.00 0.00 0.00 177.43 178.19 2ouu h ARG 642 N 0.43 1.15 -0.48 6.67 1.12 -0.79 -0.91 114.38 121.58 2ouu h ARG 642 Ca 0.11 -0.27 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 2ouu h ARG 642 Cb 0.28 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 2ouu h ARG 642 CO -0.00 1.00 0.26 -0.22 -3.11 0.00 0.00 179.97 177.90 2ouu h LYS 643 N 1.10 0.67 -0.47 0.20 3.64 -1.17 -0.73 116.57 119.80 2ouu h LYS 643 Ca 0.23 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2ouu h LYS 643 Cb 0.36 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2ouu h LYS 643 CO -0.00 0.53 0.10 1.96 -2.27 0.00 0.00 179.45 179.77 2ouu h GLN 644 N 0.63 0.76 -0.67 1.90 1.08 -0.99 -2.18 115.11 115.64 2ouu h GLN 644 Ca 0.17 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2ouu h GLN 644 Cb 0.06 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2ouu h GLN 644 CO -0.03 0.76 0.26 -0.07 -0.95 0.00 0.00 178.83 178.80 2ouu h LEU 645 N 0.64 0.91 -0.63 1.46 3.38 -0.97 -0.83 115.31 119.27 2ouu h LEU 645 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2ouu h LEU 645 Cb 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2ouu h LEU 645 CO 0.00 0.82 0.30 -0.08 0.09 0.00 0.00 178.44 179.58 2ouu h GLU 646 N 0.97 0.91 -0.35 1.13 4.57 -0.90 0.52 114.58 121.43 2ouu h GLU 646 Ca 0.23 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2ouu h GLU 646 Cb 0.20 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2ouu h GLU 646 CO -0.02 0.73 0.08 1.49 -1.18 0.00 0.00 179.01 180.11 2ouu h GLU 647 N 0.87 0.55 -0.43 1.92 4.81 -0.92 -0.03 114.58 121.34 2ouu h GLU 647 Ca 0.22 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2ouu h GLU 647 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2ouu h GLU 647 CO -0.03 0.60 0.28 0.52 -0.73 0.00 0.00 179.01 179.66 2ouu h MET 648 N 0.41 0.58 0.15 1.92 2.86 -0.85 -1.27 114.93 118.71 2ouu h MET 648 Ca 0.11 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2ouu h MET 648 Cb 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ouu h MET 648 CO 0.00 0.39 -0.07 -0.92 1.06 0.00 0.00 176.91 177.37 2ouu h TYR 649 N 0.59 -0.18 -0.14 -0.22 3.20 -0.75 -0.63 116.97 118.83 2ouu h TYR 649 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2ouu h TYR 649 Cb -0.06 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2ouu h TYR 649 CO -0.04 0.08 -0.08 1.96 -1.64 0.00 0.00 178.16 178.44 2ouu h GLN 650 N -0.44 0.20 -0.00 1.82 4.20 -0.92 -1.88 115.11 118.09 2ouu h GLN 650 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2ouu h GLN 650 Cb 0.35 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2ouu h GLN 650 CO 0.03 0.30 -0.19 0.25 -0.67 0.00 0.00 178.83 178.55 2ouu n THR 651 N -4.33 0.00 -1.04 -0.54 -2.24 -0.49 -4.92 114.28 100.72 2ouu n THR 651 Ca -0.01 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 2ouu n THR 651 Cb 0.22 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 2ouu n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ouu n GLY 652 N 1.40 0.50 0.03 3.38 0.00 -0.71 -4.92 105.19 104.87 2ouu n GLY 652 Ca 0.10 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.58 2ouu n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ouu n SER 653 N 1.07 0.63 -4.68 1.61 3.41 -0.35 -4.92 113.62 110.39 2ouu n SER 653 Ca -0.01 -0.20 -0.46 0.00 -0.26 0.00 0.00 58.87 57.94 2ouu n SER 653 Cb 0.06 0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2ouu n SER 653 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2ouu n LEU 654 N -1.86 3.46 -3.71 1.04 7.94 -0.57 -4.96 117.00 118.34 2ouu n LEU 654 Ca 0.03 1.02 -0.28 0.00 -1.11 0.00 0.00 56.01 55.68 2ouu n LEU 654 Cb 0.41 -1.44 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 2ouu n LEU 654 CO 0.38 -0.09 -0.36 0.21 -1.11 0.00 0.00 177.39 176.43 2ouu s ASN 655 N 2.41 2.98 0.64 1.96 3.04 -1.26 -5.00 114.94 119.71 2ouu s ASN 655 Ca 0.84 -0.89 0.42 0.00 0.04 0.00 0.00 52.86 53.27 2ouu s ASN 655 Cb -0.63 -0.57 2.25 0.00 -1.54 0.00 0.00 41.25 40.75 2ouu s ASN 655 CO 0.42 -0.33 2.29 -0.07 -3.04 0.00 0.00 177.10 176.38 2ouu h LEU 656 N 8.26 0.00 -0.68 3.21 3.38 -1.94 -1.01 115.31 126.53 2ouu h LEU 656 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2ouu h LEU 656 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2ouu h LEU 656 CO 0.35 0.00 -0.08 0.59 0.09 0.00 0.00 178.44 179.39 2ouu n ASN 657 N -3.03 1.13 -4.60 -0.43 3.02 -1.26 -4.45 115.26 105.64 2ouu n ASN 657 Ca -0.02 -1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.92 2ouu n ASN 657 Cb 0.10 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 2ouu n ASN 657 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ouu s ASN 658 N -2.19 6.54 0.27 6.41 3.04 -0.38 -4.96 114.94 123.67 2ouu s ASN 658 Ca 0.34 0.44 -0.00 0.00 0.04 0.00 0.00 52.86 53.68 2ouu s ASN 658 Cb 0.20 -2.36 0.52 0.00 -1.54 0.00 0.00 41.25 38.08 2ouu s ASN 658 CO 0.40 -0.56 1.82 -0.61 -3.04 0.00 0.00 177.10 175.11 2ouu h GLN 659 N 8.24 0.88 -0.63 0.43 5.75 -1.86 0.66 115.11 128.58 2ouu h GLN 659 Ca -0.26 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.13 2ouu h GLN 659 Cb 1.11 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 2ouu h GLN 659 CO 0.84 0.59 0.16 0.66 -2.65 0.00 0.00 178.83 178.43 2ouu h SER 660 N 0.91 0.93 -0.35 -0.69 4.64 -1.93 -0.19 113.55 116.87 2ouu h SER 660 Ca 0.47 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 2ouu h SER 660 Cb 0.49 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2ouu h SER 660 CO -0.27 0.89 -0.15 0.45 -0.87 0.00 0.00 176.83 176.88 2ouu h HIS 661 N 0.95 0.81 -0.59 4.77 3.86 -1.51 -2.89 115.15 120.55 2ouu h HIS 661 Ca 0.20 -0.19 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 2ouu h HIS 661 Cb 0.32 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 2ouu h HIS 661 CO 0.02 0.90 0.32 -0.09 0.86 0.00 0.00 177.93 179.95 2ouu h ARG 662 N 0.49 0.60 -0.88 2.45 2.43 -0.58 -0.45 114.38 118.44 2ouu h ARG 662 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2ouu h ARG 662 Cb 0.68 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 2ouu h ARG 662 CO 0.05 0.40 0.52 -0.44 -1.51 0.00 0.00 179.97 178.98 2ouu h ASP 663 N 0.62 1.06 -0.57 -3.80 3.32 -0.98 -0.81 116.42 115.27 2ouu h ASP 663 Ca 0.26 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2ouu h ASP 663 Cb 0.14 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2ouu h ASP 663 CO -0.16 0.83 -0.05 0.03 -1.72 0.00 0.00 179.24 178.17 2ouu h ARG 664 N 1.21 1.04 -0.57 3.56 3.08 -1.11 0.05 114.38 121.64 2ouu h ARG 664 Ca 0.31 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2ouu h ARG 664 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2ouu h ARG 664 CO -0.06 1.05 0.23 0.28 -1.07 0.00 0.00 179.97 180.41 2ouu h VAL 665 N 0.92 1.22 -0.77 2.04 2.07 -0.66 -1.02 116.25 120.05 2ouu h VAL 665 Ca 0.15 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2ouu h VAL 665 Cb 0.61 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2ouu h VAL 665 CO 0.04 0.26 0.34 0.40 0.02 0.00 0.00 177.57 178.63 2ouu h ILE 666 N 0.78 1.25 -0.82 4.57 2.04 -1.00 -0.58 117.51 123.75 2ouu h ILE 666 Ca 0.19 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2ouu h ILE 666 Cb 0.19 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2ouu h ILE 666 CO -0.02 0.31 0.40 1.23 0.00 0.00 0.00 178.15 180.07 2ouu h GLY 667 N 1.14 1.27 1.57 5.37 0.00 -0.34 -0.14 103.07 111.95 2ouu h GLY 667 Ca 0.26 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2ouu h GLY 667 CO -0.03 0.60 -0.41 -2.00 0.00 0.00 0.00 176.54 174.70 2ouu h LEU 668 N 1.16 0.50 -0.66 3.11 5.85 -0.75 -1.55 115.31 122.98 2ouu h LEU 668 Ca 0.28 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2ouu h LEU 668 Cb 0.12 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2ouu h LEU 668 CO -0.04 0.86 0.34 0.24 -0.34 0.00 0.00 178.44 179.50 2ouu h MET 669 N 0.39 0.93 -0.80 1.25 2.86 -0.46 -0.10 114.93 119.01 2ouu h MET 669 Ca 0.03 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2ouu h MET 669 Cb 0.89 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2ouu h MET 669 CO 0.07 0.72 0.31 0.52 1.06 0.00 0.00 176.91 179.59 2ouu h MET 670 N 0.90 1.20 -0.29 1.72 2.86 -0.68 -0.61 114.93 120.04 2ouu h MET 670 Ca 0.23 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2ouu h MET 670 Cb 0.07 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2ouu h MET 670 CO -0.03 0.97 0.13 1.15 1.06 0.00 0.00 176.91 180.19 2ouu h THR 671 N 1.16 1.16 -0.89 2.22 2.02 -0.93 0.44 112.91 118.09 2ouu h THR 671 Ca 0.26 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 67.03 2ouu h THR 671 Cb 0.23 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2ouu h THR 671 CO -0.02 0.17 0.56 0.00 0.37 0.00 0.00 175.52 176.60 2ouu h ALA 672 N 0.98 1.23 -0.16 6.16 0.00 -0.62 -0.49 119.26 126.36 2ouu h ALA 672 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2ouu h ALA 672 Cb 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ouu h ALA 672 CO -0.01 0.33 -0.55 0.00 0.00 0.00 0.00 179.25 179.01 2ouu h ALA 674 N 0.55 1.85 -0.17 0.00 0.00 -0.45 -2.19 119.26 118.85 2ouu h ALA 674 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ouu h ALA 674 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ouu h ALA 674 CO 0.12 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2ouu n LEU 675 N -4.44 2.27 0.00 0.00 4.77 -0.24 -4.64 117.00 114.73 2ouu n LEU 675 Ca -0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2ouu n LEU 675 Cb 0.16 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2ouu n LEU 675 CO 0.35 0.45 0.51 0.00 -1.33 0.00 0.00 177.39 177.36 2ouu h SER 677 N 0.00 0.00 -0.01 0.00 4.64 -1.84 -0.04 113.55 116.29 2ouu h SER 677 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ouu h SER 677 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2ouu h SER 677 CO 0.00 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 2ouu n VAL 678 N -3.71 0.02 -0.33 0.95 0.24 -0.82 -3.38 118.33 111.31 2ouu n VAL 678 Ca -0.03 -0.05 0.05 0.00 -2.04 0.00 0.00 64.34 62.28 2ouu n VAL 678 Cb 0.13 -0.27 0.15 0.00 -1.47 0.00 0.00 33.84 32.39 2ouu n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ouu n THR 679 N -0.72 1.26 -2.74 3.34 -2.24 -0.03 -3.76 114.28 109.39 2ouu n THR 679 Ca 0.19 -1.20 -0.22 0.00 -2.27 0.00 0.00 64.05 60.55 2ouu n THR 679 Cb 0.13 0.34 0.09 0.00 -2.10 0.00 0.00 70.33 68.79 2ouu n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ouu s LYS 680 N -1.39 1.88 0.50 -0.78 -0.14 -1.22 -4.70 119.74 113.90 2ouu s LYS 680 Ca 0.23 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.32 2ouu s LYS 680 Cb 0.15 -2.44 -0.06 0.00 -1.68 0.00 0.00 37.83 33.79 2ouu s LYS 680 CO 0.12 -1.25 1.24 -0.51 -0.76 0.00 0.00 175.35 174.18 2ouu s LEU 681 N -4.98 3.93 0.21 3.17 1.43 -1.26 -4.65 118.68 116.53 2ouu s LEU 681 Ca 0.65 2.48 -0.21 0.00 -1.03 0.00 0.00 54.13 56.02 2ouu s LEU 681 Cb -0.05 -4.28 0.16 0.00 0.03 0.00 0.00 46.19 42.05 2ouu s LEU 681 CO 0.42 -1.20 1.53 1.87 0.23 0.00 0.00 176.35 179.20 2ouu n TRP 682 N -0.76 -0.08 -0.07 0.29 -0.00 -1.26 -0.75 117.44 114.80 2ouu n TRP 682 Ca 0.09 1.22 0.09 0.00 -0.00 0.00 0.00 57.50 58.90 2ouu n TRP 682 Cb 0.47 -0.80 0.47 0.00 -0.00 0.00 0.00 31.31 31.45 2ouu n TRP 682 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2ouu h PRO 683 N 0.00 0.47 -0.25 5.87 0.13 -1.99 0.63 132.00 136.86 2ouu h PRO 683 Ca 0.30 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.25 2ouu h PRO 683 Cb 0.54 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2ouu h PRO 683 CO -0.97 0.31 -0.42 0.28 -0.23 0.00 0.00 178.00 176.97 2ouu h VAL 684 N 0.48 1.31 -0.73 1.56 2.07 -1.29 -1.95 116.25 117.69 2ouu h VAL 684 Ca 0.25 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 2ouu h VAL 684 Cb 0.37 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2ouu h VAL 684 CO -0.07 0.52 0.24 0.74 0.02 0.00 0.00 177.57 179.01 2ouu h THR 685 N 0.44 1.26 -0.38 2.57 2.02 -0.44 -1.68 112.91 116.71 2ouu h THR 685 Ca 0.02 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 2ouu h THR 685 Cb 1.02 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2ouu h THR 685 CO 0.10 0.35 -0.06 0.50 0.37 0.00 0.00 175.52 176.78 2ouu h LYS 686 N 1.08 0.70 -0.85 6.66 1.63 -0.88 -1.22 116.57 123.70 2ouu h LYS 686 Ca 0.24 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2ouu h LYS 686 Cb 0.30 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2ouu h LYS 686 CO -0.01 0.83 0.42 1.25 -3.45 0.00 0.00 179.45 178.50 2ouu h LEU 687 N 0.51 1.09 -0.76 5.20 6.46 -1.20 -2.36 115.31 124.25 2ouu h LEU 687 Ca 0.10 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 2ouu h LEU 687 Cb 0.55 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2ouu h LEU 687 CO 0.03 0.91 -0.18 0.74 -0.62 0.00 0.00 178.44 179.32 2ouu h THR 688 N 1.19 1.26 -0.63 1.05 2.02 -1.12 -2.42 112.91 114.27 2ouu h THR 688 Ca 0.29 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.26 2ouu h THR 688 Cb 0.09 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2ouu h THR 688 CO -0.04 0.42 0.42 0.00 0.37 0.00 0.00 175.52 176.69 2ouu h ALA 689 N 1.13 1.71 -0.77 6.16 0.00 -0.72 -0.52 119.26 126.25 2ouu h ALA 689 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ouu h ALA 689 Cb 0.67 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2ouu h ALA 689 CO 0.05 0.21 0.44 -0.91 0.00 0.00 0.00 179.25 179.03 2ouu h ASN 690 N 0.70 0.94 -0.31 0.00 2.35 -0.99 -0.90 115.58 117.37 2ouu h ASN 690 Ca 0.26 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 2ouu h ASN 690 Cb 0.16 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2ouu h ASN 690 CO -0.08 0.75 -0.39 0.44 -1.65 0.00 0.00 177.43 176.50 2ouu h ASP 691 N 1.07 0.88 -0.35 5.81 3.32 -1.06 -1.11 116.42 124.99 2ouu h ASP 691 Ca 0.27 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.86 2ouu h ASP 691 Cb 0.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2ouu h ASP 691 CO -0.05 1.20 0.16 0.40 -1.72 0.00 0.00 179.24 179.23 2ouu h ILE 692 N 0.59 0.97 -0.01 0.35 2.04 -0.90 -2.24 117.51 118.30 2ouu h ILE 692 Ca 0.04 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 2ouu h ILE 692 Cb 0.98 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2ouu h ILE 692 CO 0.09 0.06 -0.56 1.88 0.00 0.00 0.00 178.15 179.63 2ouu h TYR 693 N 0.34 0.04 -0.89 1.37 -1.99 -1.13 -1.76 116.97 112.96 2ouu h TYR 693 Ca 0.15 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.86 2ouu h TYR 693 Cb 0.07 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 2ouu h TYR 693 CO -0.11 0.58 0.56 0.00 -0.00 0.00 0.00 178.16 179.19 2ouu h ALA 694 N 1.42 1.13 -0.21 3.88 0.00 -0.76 0.18 119.26 124.90 2ouu h ALA 694 Ca -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2ouu h ALA 694 Cb 0.99 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2ouu h ALA 694 CO 0.07 0.57 -0.19 1.49 0.00 0.00 0.00 179.25 181.20 2ouu h GLU 695 N 1.22 0.49 -0.52 0.00 4.81 -1.12 -2.42 114.58 117.03 2ouu h GLU 695 Ca 0.32 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2ouu h GLU 695 Cb -0.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2ouu h GLU 695 CO -0.06 0.83 0.30 0.74 -0.73 0.00 0.00 179.01 180.08 2ouu h PHE 696 N 0.18 0.56 -0.28 0.92 0.04 -0.92 -2.50 116.94 114.94 2ouu h PHE 696 Ca 0.04 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2ouu h PHE 696 Cb 0.72 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 2ouu h PHE 696 CO 0.08 0.31 -0.08 -1.49 -0.60 0.00 0.00 178.31 176.52 2ouu h TRP 697 N 0.59 0.47 -0.35 -0.55 6.55 -0.64 -1.21 115.95 120.82 2ouu h TRP 697 Ca 0.22 -0.06 -0.08 0.00 0.95 0.00 0.00 58.89 59.91 2ouu h TRP 697 Cb 0.05 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 2ouu h TRP 697 CO -0.07 0.53 -0.14 0.00 -1.05 0.00 0.00 178.44 177.71 2ouu h ALA 698 N 1.49 1.11 -0.45 1.49 0.00 -1.04 -0.33 119.26 121.54 2ouu h ALA 698 Ca 0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2ouu h ALA 698 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ouu h ALA 698 CO 0.02 0.55 -0.15 1.49 0.00 0.00 0.00 179.25 181.17 2ouu h GLU 699 N 0.56 0.89 -0.57 0.00 4.81 -0.99 -2.44 114.58 116.83 2ouu h GLU 699 Ca 0.10 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2ouu h GLU 699 Cb 0.56 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2ouu h GLU 699 CO 0.04 1.01 0.21 0.78 -0.73 0.00 0.00 179.01 180.32 2ouu h GLY 700 N 0.72 0.89 1.00 1.92 0.00 -0.77 -2.01 103.07 104.82 2ouu h GLY 700 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2ouu h GLY 700 CO 0.05 0.44 0.39 -0.55 0.00 0.00 0.00 176.54 176.86 2ouu h ASP 701 N 0.82 0.83 -0.72 0.19 3.32 -0.75 -1.95 116.42 118.16 2ouu h ASP 701 Ca 0.19 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2ouu h ASP 701 Cb 0.18 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2ouu h ASP 701 CO -0.02 0.67 0.26 -0.33 -1.72 0.00 0.00 179.24 178.11 2ouu h GLU 702 N 0.93 1.11 -0.52 3.56 4.39 -0.96 -2.67 114.58 120.41 2ouu h GLU 702 Ca 0.24 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2ouu h GLU 702 Cb 0.01 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2ouu h GLU 702 CO -0.04 0.92 0.23 0.52 -1.16 0.00 0.00 179.01 179.47 2ouu h MET 703 N 1.07 0.76 -0.63 2.33 2.86 -0.96 -2.68 114.93 117.68 2ouu h MET 703 Ca 0.24 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2ouu h MET 703 Cb 0.25 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2ouu h MET 703 CO -0.02 0.65 0.37 0.87 1.06 0.00 0.00 176.91 179.84 2ouu h LYS 704 N 0.69 0.85 0.00 1.72 1.57 -1.16 -1.13 116.57 119.11 2ouu h LYS 704 Ca 0.18 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2ouu h LYS 704 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2ouu h LYS 704 CO -0.02 0.60 -0.18 0.87 -0.57 0.00 0.00 179.45 180.16 2ouu h LYS 705 N 0.86 0.00 -0.57 3.15 1.57 -1.15 -2.48 116.57 117.95 2ouu h LYS 705 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ouu h LYS 705 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2ouu h LYS 705 CO -0.04 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 2ouu n LEU 706 N -3.84 3.42 0.00 2.94 4.77 -0.51 -4.95 117.00 118.83 2ouu n LEU 706 Ca -0.02 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 2ouu n LEU 706 Cb 0.28 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2ouu n LEU 706 CO 0.33 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2ouu n GLY 707 N 1.52 0.64 3.23 -0.72 0.00 -0.93 -5.05 105.19 103.88 2ouu n GLY 707 Ca 0.21 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2ouu n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ouu s ILE 708 N -2.00 2.83 0.16 -0.61 -1.09 -0.69 -5.01 121.20 114.79 2ouu s ILE 708 Ca 0.00 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 2ouu s ILE 708 Cb 0.00 -2.26 -0.07 0.00 -1.58 0.00 0.00 42.46 38.55 2ouu s ILE 708 CO 0.00 0.47 1.11 -1.10 -1.23 0.00 0.00 174.94 174.20 2ouu s GLN 709 N 1.37 4.57 0.64 2.79 -1.52 -1.26 -2.96 119.66 123.28 2ouu s GLN 709 Ca 0.05 1.73 -0.11 0.00 -1.95 0.00 0.00 55.36 55.08 2ouu s GLN 709 Cb -0.14 -3.29 -0.03 0.00 -0.22 0.00 0.00 33.01 29.34 2ouu s GLN 709 CO -0.07 0.02 1.04 -1.25 -0.25 0.00 0.00 175.29 174.79 2ouu s PRO 710 N -0.18 3.44 0.72 2.91 0.04 -1.26 -5.00 135.00 135.66 2ouu s PRO 710 Ca 0.51 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 2ouu s PRO 710 Cb -0.29 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.21 2ouu s PRO 710 CO 0.34 -0.68 1.14 0.96 0.04 0.00 0.00 177.00 178.80 2ouu s ILE 711 N -3.19 2.82 0.31 0.56 -4.36 -1.26 -4.80 121.20 111.29 2ouu s ILE 711 Ca 0.56 0.37 0.08 0.00 -0.26 0.00 0.00 60.65 61.40 2ouu s ILE 711 Cb -0.11 -2.86 0.31 0.00 1.25 0.00 0.00 42.46 41.04 2ouu s ILE 711 CO 0.54 -0.25 1.71 -0.65 0.24 0.00 0.00 174.94 176.53 2ouu h PRO 712 N -0.36 0.49 -0.35 0.37 0.11 -1.96 -0.91 132.00 129.39 2ouu h PRO 712 Ca -0.46 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2ouu h PRO 712 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2ouu h PRO 712 CO 0.51 0.33 0.24 1.98 -0.21 0.00 0.00 178.00 180.85 2ouu h MET 713 N 0.51 0.21 -0.44 1.05 4.05 -1.92 -0.81 114.93 117.58 2ouu h MET 713 Ca 0.63 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.04 2ouu h MET 713 Cb 1.21 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2ouu h MET 713 CO -0.50 0.14 0.00 -1.33 0.23 0.00 0.00 176.91 175.45 2ouu n MET 714 N -4.48 2.41 -3.37 0.39 2.81 -0.37 -4.67 117.12 109.85 2ouu n MET 714 Ca 0.04 -2.15 -0.43 0.00 -1.81 0.00 0.00 57.70 53.35 2ouu n MET 714 Cb 0.27 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.19 2ouu n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ouu s ASP 715 N -1.35 6.17 0.56 7.83 -1.08 -0.31 -3.62 116.67 124.86 2ouu s ASP 715 Ca 0.39 -0.74 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 2ouu s ASP 715 Cb 0.22 -2.20 1.48 0.00 -1.46 0.00 0.00 42.92 40.96 2ouu s ASP 715 CO 0.30 -0.54 2.00 -0.09 0.52 0.00 0.00 175.17 177.37 2ouu h ARG 716 N 8.69 0.00 -0.17 4.34 2.43 -1.84 -0.18 114.38 127.65 2ouu h ARG 716 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2ouu h ARG 716 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2ouu h ARG 716 CO 0.77 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.98 2ouu n ASP 717 N -4.07 1.23 -1.24 -3.80 10.43 -1.26 -3.59 116.55 114.25 2ouu n ASP 717 Ca 0.07 -1.79 -0.01 0.00 2.57 0.00 0.00 54.79 55.63 2ouu n ASP 717 Cb 0.55 -0.11 0.12 0.00 1.84 0.00 0.00 41.12 43.52 2ouu n ASP 717 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2ouu n LYS 718 N 0.09 1.69 0.31 -1.24 5.02 -0.08 -4.81 118.16 119.14 2ouu n LYS 718 Ca 0.12 -3.23 0.18 0.00 -2.02 0.00 0.00 58.31 53.36 2ouu n LYS 718 Cb 0.23 -1.43 1.04 0.00 -0.02 0.00 0.00 35.03 34.85 2ouu n LYS 718 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2ouu h LYS 719 N 1.36 0.00 0.00 1.97 2.10 -1.67 -1.07 116.57 119.26 2ouu h LYS 719 Ca 0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2ouu h LYS 719 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2ouu h LYS 719 CO 0.19 0.01 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.19 2ouu h ASP 720 N 0.00 0.00 0.40 7.07 3.32 -1.91 -2.05 116.42 123.25 2ouu h ASP 720 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ouu h ASP 720 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2ouu h ASP 720 CO 0.00 0.02 -0.11 -0.62 -1.72 0.00 0.00 179.24 176.81 2ouu n GLU 721 N -3.17 0.62 -0.06 3.56 1.02 -0.41 -4.35 120.64 117.85 2ouu n GLU 721 Ca -0.02 -0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 56.85 2ouu n GLU 721 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 2ouu n GLU 721 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ouu h VAL 722 N 0.48 0.78 -0.63 2.62 2.07 -1.52 -0.65 116.25 119.40 2ouu h VAL 722 Ca 0.00 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2ouu h VAL 722 Cb 0.36 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2ouu h VAL 722 CO 0.00 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 177.27 2ouu h PRO 723 N 0.02 0.57 -0.32 1.57 0.11 -1.82 0.25 132.00 132.39 2ouu h PRO 723 Ca 0.12 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 2ouu h PRO 723 Cb 0.17 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2ouu h PRO 723 CO -0.23 0.38 -0.18 0.37 -0.21 0.00 0.00 178.00 178.12 2ouu h GLN 724 N 0.59 0.59 -0.68 1.05 5.75 -1.80 -1.43 115.11 119.18 2ouu h GLN 724 Ca 0.29 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2ouu h GLN 724 Cb 0.23 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 2ouu h GLN 724 CO -0.21 0.75 0.19 0.78 -2.65 0.00 0.00 178.83 177.69 2ouu h GLY 725 N 0.98 1.15 0.93 2.39 0.00 0.24 -0.55 103.07 108.21 2ouu h GLY 725 Ca 0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2ouu h GLY 725 CO 0.04 0.65 0.13 1.46 0.00 0.00 0.00 176.54 178.83 2ouu h GLN 726 N 1.00 0.56 -0.59 4.80 1.08 -0.21 -0.14 115.11 121.62 2ouu h GLN 726 Ca 0.22 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2ouu h GLN 726 Cb 0.33 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 2ouu h GLN 726 CO -0.00 0.56 0.29 1.25 -0.95 0.00 0.00 178.83 179.98 2ouu h LEU 727 N 0.45 0.41 -0.80 1.46 6.46 -0.97 0.17 115.31 122.49 2ouu h LEU 727 Ca 0.12 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2ouu h LEU 727 Cb 0.22 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 2ouu h LEU 727 CO -0.01 0.27 0.50 1.23 -0.62 0.00 0.00 178.44 179.81 2ouu h GLY 728 N 0.55 1.15 0.87 3.75 0.00 -0.66 -0.77 103.07 107.96 2ouu h GLY 728 Ca 0.27 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2ouu h GLY 728 CO -0.20 0.44 -0.11 -2.75 0.00 0.00 0.00 176.54 173.93 2ouu h PHE 729 N 1.09 0.62 -0.65 5.60 3.57 -0.07 -0.29 116.94 126.81 2ouu h PHE 729 Ca 0.29 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2ouu h PHE 729 Cb -0.08 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2ouu h PHE 729 CO -0.01 0.78 0.30 1.88 -2.23 0.00 0.00 178.31 179.03 2ouu h TYR 730 N 0.29 0.95 -0.35 0.41 -1.99 -0.52 0.20 116.97 115.97 2ouu h TYR 730 Ca 0.06 -0.05 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 2ouu h TYR 730 Cb 0.61 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 2ouu h TYR 730 CO 0.06 0.73 -0.36 -0.91 -0.00 0.00 0.00 178.16 177.67 2ouu h ASN 731 N 0.90 0.85 1.08 3.88 2.35 -1.06 0.13 115.58 123.71 2ouu h ASN 731 Ca 0.22 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.48 2ouu h ASN 731 Cb 0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2ouu h ASN 731 CO -0.02 1.12 -0.98 0.00 -1.65 0.00 0.00 177.43 175.90 2ouu h ALA 732 N 0.92 0.65 0.00 -0.83 0.00 -0.90 -3.41 119.26 115.70 2ouu h ALA 732 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ouu h ALA 732 Cb 0.92 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ouu h ALA 732 CO 0.08 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.26 2ouu n VAL 733 N -2.99 0.57 0.32 0.00 0.31 0.69 -4.84 118.33 112.39 2ouu n VAL 733 Ca -0.04 0.19 -0.17 0.00 -0.01 0.00 0.00 64.34 64.31 2ouu n VAL 733 Cb 0.75 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.59 2ouu n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ouu h ALA 734 N 0.00 -0.81 -0.15 3.52 0.00 -1.42 -1.67 119.26 118.73 2ouu h ALA 734 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ouu h ALA 734 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ouu h ALA 734 CO 0.00 -0.96 0.09 0.82 0.00 0.00 0.00 179.25 179.20 2ouu h ILE 735 N -0.81 1.03 -0.49 0.00 1.08 -1.00 -1.72 117.51 115.60 2ouu h ILE 735 Ca -0.07 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 2ouu h ILE 735 Cb 0.64 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2ouu h ILE 735 CO 0.10 0.04 0.20 -0.65 -0.69 0.00 0.00 178.15 177.15 2ouu h PRO 736 N 0.19 0.69 0.53 2.37 0.11 -1.75 0.50 132.00 134.65 2ouu h PRO 736 Ca 0.06 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2ouu h PRO 736 Cb -0.02 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 30.97 2ouu h PRO 736 CO -0.02 0.56 -0.25 0.00 -0.21 0.00 0.00 178.00 178.08 2ouu h TYR 738 N -0.73 0.00 -0.20 0.00 -1.99 -1.18 -0.73 116.97 112.15 2ouu h TYR 738 Ca -0.07 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.61 2ouu h TYR 738 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 2ouu h TYR 738 CO -0.03 0.28 -0.05 1.15 -0.00 0.00 0.00 178.16 179.50 2ouu h THR 739 N 0.00 1.29 -0.40 -2.88 2.02 -0.66 -0.76 112.91 111.51 2ouu h THR 739 Ca -0.00 -1.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 2ouu h THR 739 Cb 0.71 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2ouu h THR 739 CO 0.04 0.32 -0.26 0.74 0.37 0.00 0.00 175.52 176.72 2ouu h THR 740 N 0.12 1.27 -0.83 3.16 2.02 -0.97 -1.93 112.91 115.75 2ouu h THR 740 Ca 0.05 -1.40 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 2ouu h THR 740 Cb 0.51 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2ouu h THR 740 CO 0.02 0.47 0.37 0.25 0.37 0.00 0.00 175.52 177.01 2ouu h LEU 741 N 0.72 1.12 -0.94 2.58 5.85 -1.06 -1.51 115.31 122.08 2ouu h LEU 741 Ca 0.09 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2ouu h LEU 741 Cb 0.80 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2ouu h LEU 741 CO 0.07 0.96 -0.31 0.74 -0.34 0.00 0.00 178.44 179.56 2ouu h THR 742 N 1.20 1.28 -0.26 1.05 2.02 -0.94 0.16 112.91 117.42 2ouu h THR 742 Ca 0.28 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 2ouu h THR 742 Cb 0.16 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2ouu h THR 742 CO -0.03 0.42 0.06 1.56 0.37 0.00 0.00 175.52 177.90 2ouu h GLN 743 N 0.35 0.42 0.03 6.66 4.20 -0.69 -2.26 115.11 123.83 2ouu h GLN 743 Ca 0.05 -0.10 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 2ouu h GLN 743 Cb 0.72 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2ouu h GLN 743 CO 0.06 0.52 -0.99 0.82 -0.67 0.00 0.00 178.83 178.57 2ouu h ILE 744 N 0.25 1.50 -2.64 2.54 2.04 -1.11 -3.39 117.51 116.70 2ouu h ILE 744 Ca 0.08 -2.78 -0.60 0.00 1.00 0.00 0.00 64.86 62.57 2ouu h ILE 744 Cb 0.29 2.61 -0.39 0.00 -0.74 0.00 0.00 36.82 38.59 2ouu h ILE 744 CO 0.00 0.81 -0.84 -0.76 0.00 0.00 0.00 178.15 177.36 2ouu s LEU 745 N -7.34 2.23 0.47 1.44 1.43 0.55 -5.02 118.68 112.43 2ouu s LEU 745 Ca -0.03 -3.02 0.26 0.00 -1.03 0.00 0.00 54.13 50.31 2ouu s LEU 745 Cb 0.09 -0.76 1.30 0.00 0.03 0.00 0.00 46.19 46.85 2ouu s LEU 745 CO 0.85 -0.19 1.80 -0.65 0.23 0.00 0.00 176.35 178.39 2ouu h PRO 746 N 5.98 0.21 0.00 1.29 0.11 -1.60 -1.22 132.00 136.76 2ouu h PRO 746 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2ouu h PRO 746 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2ouu h PRO 746 CO 0.44 0.14 0.00 -2.30 -0.21 0.00 0.00 178.00 176.07 2ouu n PRO 747 N -4.43 0.01 -0.07 1.05 -0.02 -1.26 -1.49 135.00 128.80 2ouu n PRO 747 Ca 0.24 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2ouu n PRO 747 Cb 1.00 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 33.34 2ouu n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ouu n THR 748 N -1.47 0.18 -0.17 3.45 -2.24 -0.46 -4.36 114.28 109.21 2ouu n THR 748 Ca 0.02 -0.25 0.21 0.00 -2.27 0.00 0.00 64.05 61.76 2ouu n THR 748 Cb 0.06 0.15 0.59 0.00 -2.10 0.00 0.00 70.33 69.03 2ouu n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ouu h GLU 749 N 1.43 0.23 -0.14 -0.78 4.81 -1.47 -1.11 114.58 117.56 2ouu h GLU 749 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2ouu h GLU 749 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2ouu h GLU 749 CO 0.00 0.15 0.12 -1.35 -0.73 0.00 0.00 179.01 177.20 2ouu h PRO 750 N 0.24 0.00 -0.40 0.92 0.11 -1.86 -0.41 132.00 130.59 2ouu h PRO 750 Ca 0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.44 2ouu h PRO 750 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2ouu h PRO 750 CO -0.09 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.58 2ouu h LEU 751 N 0.00 0.73 -0.39 2.35 3.38 -1.55 -1.24 115.31 118.58 2ouu h LEU 751 Ca 0.06 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2ouu h LEU 751 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2ouu h LEU 751 CO -0.00 0.89 0.10 0.25 0.09 0.00 0.00 178.44 179.76 2ouu h LEU 752 N 0.55 0.60 -0.53 1.67 5.85 -1.27 -0.80 115.31 121.37 2ouu h LEU 752 Ca 0.11 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2ouu h LEU 752 Cb 0.54 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2ouu h LEU 752 CO 0.03 0.67 0.31 0.50 -0.34 0.00 0.00 178.44 179.61 2ouu h LYS 753 N 0.49 0.59 -0.72 1.25 3.64 -1.03 -0.18 116.57 120.62 2ouu h LYS 753 Ca 0.12 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2ouu h LYS 753 Cb 0.31 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2ouu h LYS 753 CO 0.00 0.39 0.23 0.00 -2.27 0.00 0.00 179.45 177.80 2ouu h ALA 754 N 1.25 0.94 -0.40 5.00 0.00 -1.02 -1.22 119.26 123.81 2ouu h ALA 754 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ouu h ALA 754 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ouu h ALA 754 CO -0.11 0.62 0.17 0.00 0.00 0.00 0.00 179.25 179.93 2ouu h ARG 756 N 0.50 1.27 -0.82 0.00 3.08 -0.75 -0.05 114.38 117.62 2ouu h ARG 756 Ca 0.13 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2ouu h ARG 756 Cb 0.16 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2ouu h ARG 756 CO -0.01 0.84 0.43 -0.44 -1.07 0.00 0.00 179.97 179.72 2ouu h ASP 757 N 1.31 1.04 0.43 7.04 3.32 -0.76 -1.50 116.42 127.30 2ouu h ASP 757 Ca 0.37 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2ouu h ASP 757 Cb -0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 2ouu h ASP 757 CO -0.09 0.85 -0.61 0.78 -1.72 0.00 0.00 179.24 178.45 2ouu h ASN 758 N 1.15 0.20 -0.61 6.45 2.35 -0.66 -1.95 115.58 122.50 2ouu h ASN 758 Ca 0.29 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2ouu h ASN 758 Cb 0.06 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2ouu h ASN 758 CO -0.04 0.76 0.35 0.25 -1.65 0.00 0.00 177.43 177.09 2ouu h LEU 759 N 0.13 0.76 -1.41 1.61 5.85 -0.61 -0.83 115.31 120.80 2ouu h LEU 759 Ca -0.01 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2ouu h LEU 759 Cb 1.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2ouu h LEU 759 CO 0.09 0.62 0.10 0.28 -0.34 0.00 0.00 178.44 179.19 2ouu h SER 760 N 0.83 0.45 -0.35 1.25 0.02 -0.96 -1.17 113.55 113.62 2ouu h SER 760 Ca 0.22 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 2ouu h SER 760 Cb 0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2ouu h SER 760 CO -0.04 0.44 -0.39 1.56 -1.14 0.00 0.00 176.83 177.27 2ouu h GLN 761 N 0.49 0.90 -0.29 3.45 1.08 -0.58 -1.73 115.11 118.43 2ouu h GLN 761 Ca 0.12 -0.47 -0.08 0.00 -1.45 0.00 0.00 58.65 56.77 2ouu h GLN 761 Cb 0.17 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2ouu h GLN 761 CO -0.01 1.12 -0.14 -1.49 -0.95 0.00 0.00 178.83 177.36 2ouu h TRP 762 N 0.74 0.54 -0.34 2.96 4.06 -0.61 -1.49 115.95 121.80 2ouu h TRP 762 Ca 0.06 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 2ouu h TRP 762 Cb 0.97 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.97 2ouu h TRP 762 CO 0.06 0.63 -0.11 0.93 -3.56 0.00 0.00 178.44 176.38 2ouu h GLU 763 N 0.46 0.59 -0.51 0.49 5.08 -1.02 -1.55 114.58 118.11 2ouu h GLU 763 Ca 0.08 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2ouu h GLU 763 Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ouu h GLU 763 CO 0.03 0.69 -0.02 0.87 -1.00 0.00 0.00 179.01 179.58 2ouu h LYS 764 N 0.54 0.89 -0.46 2.33 1.57 -0.56 -1.37 116.57 119.51 2ouu h LYS 764 Ca 0.10 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2ouu h LYS 764 Cb 0.52 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2ouu h LYS 764 CO 0.03 0.90 0.21 0.28 -0.57 0.00 0.00 179.45 180.30 2ouu h VAL 765 N 0.82 1.19 -0.70 0.50 2.07 -0.65 0.16 116.25 119.64 2ouu h VAL 765 Ca 0.15 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2ouu h VAL 765 Cb 0.52 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2ouu h VAL 765 CO 0.03 0.21 0.36 0.40 0.02 0.00 0.00 177.57 178.59 2ouu h ILE 766 N 0.59 1.21 -0.00 4.57 2.04 -1.00 -0.97 117.51 123.96 2ouu h ILE 766 Ca 0.16 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2ouu h ILE 766 Cb 0.14 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2ouu h ILE 766 CO -0.02 0.24 -0.02 0.54 0.00 0.00 0.00 178.15 178.90 2ouu n ARG 767 N -4.36 0.76 -2.48 2.37 1.74 -0.54 -4.91 116.66 109.24 2ouu n ARG 767 Ca 0.07 -0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.00 2ouu n ARG 767 Cb 0.11 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2ouu n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouu n GLY 768 N 1.16 0.29 0.46 -0.13 0.00 -0.37 -4.96 105.19 101.64 2ouu n GLY 768 Ca 0.19 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.76 2ouu n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ouu n GLU 769 N -1.78 0.87 -1.75 1.61 1.02 0.46 -5.02 120.64 116.05 2ouu n GLU 769 Ca -0.04 -1.28 -0.39 0.00 -0.02 0.00 0.00 57.16 55.43 2ouu n GLU 769 Cb 0.54 -1.21 0.03 0.00 -0.02 0.00 0.00 31.44 30.78 2ouu n GLU 769 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ouu n GLU 770 N 0.58 1.88 0.00 3.49 2.13 -1.23 -4.93 120.64 122.56 2ouu n GLU 770 Ca 0.07 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2ouu n GLU 770 Cb 0.29 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.41 2ouu n GLU 770 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2ouu n THR 771 N -0.76 0.00 -3.96 6.31 -1.04 -1.26 -5.01 114.28 108.56 2ouu n THR 771 Ca 0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.75 2ouu n THR 771 Cb 0.43 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.86 2ouu n THR 771 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ouu s ALA 772 N -3.92 3.51 0.06 2.41 0.00 -1.26 -5.10 121.76 117.46 2ouu s ALA 772 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2ouu s ALA 772 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2ouu s ALA 772 CO 0.00 0.25 -0.11 0.99 0.00 0.00 0.00 175.76 176.89 2ouu s THR 773 N 0.14 3.33 0.00 0.00 2.01 -1.26 -5.15 115.64 114.71 2ouu s THR 773 Ca 0.06 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2ouu s THR 773 Cb -0.12 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.90 2ouu s THR 773 CO 0.00 0.24 0.28 0.79 -0.69 0.00 0.00 174.62 175.25